@prefix co: .
@prefix compound: .
@prefix cosc: .
@prefix csc: .
@prefix cscl: .
@prefix dbo: .
@prefix dbp: .
@prefix dc: .
@prefix dct: .
@prefix list: .
@prefix omg_dataset: .
@prefix rdf: .
@prefix rdfs: .
@prefix skos: .
@prefix tax_nodes: .
@prefix vcs: .
@prefix vlcs: .
@prefix wise: .
@prefix wk: .
@prefix xkos: .
@prefix xsd: .
csc:WGTYBPLFGIVFAS-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:60966 ;
dbo:casNumber "104422-11-9" , "105468-35-7" , "154636-59-6" , "75-59-2" , "129654-61-1" , "78017-87-5" , "93615-68-0" ;
dbo:formula "C4H13NO" ;
dbo:inchi "InChI=1S/C4H12N.H2O/c1-5(2,3)4;/h1-4H3;1H2/q+1;/p-1" ;
dbo:iupacName "tetramethylazanium hydroxide"@en ;
dbo:pubchem "60966"^^xsd:int ;
dbo:smiles "C[N+](C)(C)C.[OH-]" ;
dbp:inchikey "WGTYBPLFGIVFAS-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "tetramethylammoniumhydroxide"@nl .
csc:GDOPTJXRTPNYNR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7296 ;
dbo:casNumber "5310-57-6" , "96-37-7" ;
dbo:formula "C6H12" ;
dbo:inchi "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" ;
dbo:iupacName "Methylcyclopentane"@en ;
dbo:pubchem "7296"^^xsd:int ;
dbo:smiles "CC1CCCC1" ;
dbp:inchikey "GDOPTJXRTPNYNR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yccC5a" ;
skos:prefLabel "methylcyclopentaan"@nl .
csc:YCOZIPAWZNQLMR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12391 ;
dbo:casNumber "629-62-9" ;
dbo:formula "C15H32" ;
dbo:inchi "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" ;
dbo:iupacName "Pentadecane"@en ;
dbo:pubchem "12391"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCC" ;
dbp:inchikey "YCOZIPAWZNQLMR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC15a" ;
skos:prefLabel "n-pentadecaan"@nl .
csc:QEFYFXOXNSNQGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23934 ;
dbo:casNumber "7440-00-8" , "42320-27-4" , "110123-51-8" ;
dbo:formula "Nd" ;
dbo:inchi "InChI=1S/Nd" ;
dbo:iupacName "NEODYMIUM"@en ;
dbo:pubchem "23934"^^xsd:int ;
dbo:smiles "[Nd]" ;
dbp:inchikey "QEFYFXOXNSNQGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nd" ;
skos:prefLabel "neodymium"@nl .
csc:UHCLFIWDCYOTOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40471 ;
dbo:casNumber "52663-63-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "40471"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "UHCLFIWDCYOTOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB151" ;
skos:prefLabel "2,2',3,5,5',6-hexachloorbifenyl"@nl .
csc:YGUFQYGSBVXPMC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:22833 ;
dbo:casNumber "6358-64-1" ;
dbo:formula "C8H10ClNO2" ;
dbo:inchi "InChI=1S/C8H10ClNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3" ;
dbo:iupacName "4-Chloro-2,5-dimethoxyaniline"@en ;
dbo:pubchem "22833"^^xsd:int ;
dbo:smiles "COC1=CC(=C(C=C1N)OC)Cl" ;
dbp:inchikey "YGUFQYGSBVXPMC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2,5-dimethoxy-4-chlooraniline"@nl .
csc:JJWIOXUMXIOXQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67526 ;
dbo:casNumber "295-65-8" ;
dbo:formula "C16H32" ;
dbo:inchi "InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2" ;
dbo:iupacName "Cyclohexadecane"@en ;
dbo:pubchem "67526"^^xsd:int ;
dbo:smiles "C1CCCCCCCCCCCCCCC1" ;
dbp:inchikey "JJWIOXUMXIOXQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC16a" ;
skos:prefLabel "cyclohexadecaan"@nl .
csc:GKWYMWZWSCKSMT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:120675 ;
dbo:casNumber "459-02-9" , "459-01-8" ;
dbo:formula "C9H13ClFN" ;
dbo:inchi "InChI=1S/C9H12FN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H" ;
dbo:iupacName "1-(4-fluorophenyl)propan-2-amine hydrochloride"@en ;
dbo:pubchem "120675"^^xsd:int ;
dbo:smiles "CC(CC1=CC=C(C=C1)F)N.Cl" ;
dbp:inchikey "GKWYMWZWSCKSMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4FamfAe" ;
skos:prefLabel "4-fluoramfetamine"@nl .
csc:ORSUTASIQKBEFU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:20513 ;
dbo:casNumber "4444-68-2" ;
dbo:formula "C8H19N" ;
dbo:inchi "InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3" ;
dbo:iupacName "N,N-diethylbutan-1-amine"@en ;
dbo:pubchem "20513"^^xsd:int ;
dbo:smiles "CCCCN(CC)CC" ;
dbp:inchikey "ORSUTASIQKBEFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yC4yAe" ;
skos:prefLabel "diethylbutylamine"@nl .
csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:29575 ;
dbo:casNumber "19408-74-3" ;
dbo:formula "C12H2Cl6O2" ;
dbo:inchi "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H" ;
dbo:iupacName "1,2,3,7,8,9-hexachlorooxanthrene"@en ;
dbo:pubchem "29575"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl" ;
dbp:inchikey "LGIRBUBHIWTVCK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,7,8,9-hexachloordibenzo-p-dioxine"@nl , "1,2,3,7,8,9-hexachloordibenzodioxine"@nl , "1,2,3,7,8,9-hexachloordibenzo-para-dioxine"@nl , "1,2,3,7,8,9-hexachloordibenzodioxine (hxcdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_19408-74-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD70" ;
skos:prefLabel " 1,2,3,7,8,9-hexachloordibenzodioxine"@nl ;
vcs:vmmParameterId "1250"^^xsd:int .
csc:ZKLPARSLTMPFCP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2678 ;
dbo:casNumber "83881-51-0" ;
dbo:formula "C21H25ClN2O3" ;
dbo:inchi "InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)" ;
dbo:iupacName "2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid"@en ;
dbo:pubchem "2678"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl" ;
dbp:inchikey "ZKLPARSLTMPFCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cetrzne" ;
skos:prefLabel "cetirizine"@nl .
csc:AHUWMUAVZFJTOC-HNQUOIGGSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6433386 ;
dbo:casNumber "3737-00-6" ;
dbo:formula "C3H4BrCl" ;
dbo:inchi "InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2/b3-1+" ;
dbo:iupacName "(E)-3-bromo-1-chloroprop-1-ene"@en ;
dbo:pubchem "6433386"^^xsd:int ;
dbo:smiles "C(C=CCl)Br" ;
dbp:inchikey "AHUWMUAVZFJTOC-HNQUOIGGSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Br1ClC3e" ;
skos:prefLabel "3-broom-1-chloorpropeen"@nl .
csc:LXQXZNRPTYVCNG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23966 ;
dbo:casNumber "7440-35-9" , "22541-46-4" ;
dbo:formula "Am" ;
dbo:inchi "InChI=1S/Am" ;
dbo:iupacName "AMERICIUM"@en ;
dbo:pubchem "23966"^^xsd:int ;
dbo:smiles "[Am]" ;
dbp:inchikey "LXQXZNRPTYVCNG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Am" ;
skos:prefLabel "americium"@nl .
csc:FSPSELPMWGWDRY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11455 ;
dbo:casNumber "585-74-0" ;
dbo:formula "C9H10O" ;
dbo:inchi "InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3" ;
dbo:iupacName "1-(3-methylphenyl)ethanone"@en ;
dbo:pubchem "11455"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C(=O)C" ;
dbp:inchikey "FSPSELPMWGWDRY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yactfnn" ;
skos:prefLabel "3-methylacetofenon"@nl .
csc:GYSSRZJIHXQEHQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21307 ;
dbo:casNumber "5234-68-4" ;
dbo:formula "C12H13NO2S" ;
dbo:inchi "InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" ;
dbo:iupacName "2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE"@en ;
dbo:pubchem "21307"^^xsd:int ;
dbo:smiles "CC1=C(SCCO1)C(=O)NC2=CC=CC=C2" ;
dbp:inchikey "GYSSRZJIHXQEHQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbOxn" ;
skos:prefLabel "carboxin"@nl .
csc:TVFDJXOCXUVLDH-BJUDXGSMSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6337088 ;
dbo:casNumber "15758-03-9" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs/i1-1" ;
dbo:iupacName "cesium-132"@en ;
dbo:pubchem "6337088"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "TVFDJXOCXUVLDH-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs132" ;
skos:prefLabel "cesium 132"@nl .
csc:JRJBVWJSTHECJK-LUAWRHEFSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5356787 ;
dbo:casNumber "127-51-5" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9-" ;
dbo:iupacName "(Z)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one"@en ;
dbo:pubchem "5356787"^^xsd:int ;
dbo:smiles "CC1=CCCC(C1C=C(C)C(=O)C)(C)C" ;
dbp:inchikey "JRJBVWJSTHECJK-LUAWRHEFSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aiC1yionn" ;
skos:prefLabel "alfa-isomethylionon"@nl .
csc:RZXIRSKYBISPGF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:155166 ;
dbo:casNumber "68631-49-2" ;
dbo:formula "C12H4Br6O" ;
dbo:inchi "InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H" ;
dbo:iupacName "1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene"@en ;
dbo:pubchem "155166"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Br)Br)Br)OC2=CC(=C(C=C2Br)Br)Br" ;
dbp:inchikey "RZXIRSKYBISPGF-UHFFFAOYSA-N" ;
skos:altLabel "2,2',4,4',5,5'-hexabroomdifenylether"@nl , "2,2',4,4',5,5'-hexabroomdifenylether (bde153)"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_68631-49-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE153" ;
skos:prefLabel "bde 153"@nl ;
vcs:vmmParameterId "935"^^xsd:int .
csc:JYYNAJVZFGKDEQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7936 ;
dbo:casNumber "108-47-4" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" ;
dbo:iupacName "2,4-Dimethylpyridine"@en ;
dbo:pubchem "7936"^^xsd:int ;
dbo:smiles "CC1=CC(=NC=C1)C" ;
dbp:inchikey "JYYNAJVZFGKDEQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yprdne" ;
skos:prefLabel "2,4-dimethylpyridine"@nl .
csc:XRQKNNNAKHZPSP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37841 ;
dbo:casNumber "37853-61-5" , "108608-62-4" ;
dbo:formula "C17H16Br4O2" ;
dbo:inchi "InChI=1S/C17H16Br4O2/c1-17(2,9-5-11(18)15(22-3)12(19)6-9)10-7-13(20)16(23-4)14(21)8-10/h5-8H,1-4H3" ;
dbo:iupacName "1,3-dibromo-5-[2-(3,5-dibromo-4-methoxyphenyl)propan-2-yl]-2-methoxybenzene"@en ;
dbo:pubchem "37841"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC(=C(C(=C1)Br)OC)Br)C2=CC(=C(C(=C2)Br)OC)Br" ;
dbp:inchikey "XRQKNNNAKHZPSP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TBBPADM" ;
skos:prefLabel "tetrabroombifenol dimethyl"@nl .
csc:ZJMMPUVJZQBMEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:184908 ;
dbo:casNumber "88963-39-7" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2" ;
dbo:iupacName "2,3,6-trichloroaniline"@en ;
dbo:pubchem "184908"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)N)Cl)Cl" ;
dbp:inchikey "ZJMMPUVJZQBMEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "236TClAn" ;
skos:prefLabel "2,3,6-trichlooraniline"@nl .
csc:STEPQTYSZVCJPV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:49384 ;
dbo:casNumber "67129-08-2" ;
dbo:formula "C14H16ClN3O" ;
dbo:inchi "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" ;
dbo:iupacName "2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide"@en ;
dbo:pubchem "49384"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl" ;
dbp:inchikey "STEPQTYSZVCJPV-UHFFFAOYSA-N" ;
skos:altLabel "metazachlor"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_67129-08-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mzCl" ;
skos:prefLabel "metazachloor"@nl ;
vcs:vmmParameterId "225"^^xsd:int .
csc:LFNLGNPSGWYGGD-IGMARMGPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104783 ;
dbo:casNumber "86954-34-9" , "13994-20-2" ;
dbo:formula "Np" ;
dbo:inchi "InChI=1S/Np/i1+0" ;
dbo:iupacName "neptunium-237"@en ;
dbo:pubchem "104783"^^xsd:int ;
dbo:smiles "[Np]" ;
dbp:inchikey "LFNLGNPSGWYGGD-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Np237" ;
skos:prefLabel "neptunium 237"@nl .
csc:RPLCPCMSCLEKRS-BPIQYHPVSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40973 ;
dbo:casNumber "54024-22-5" ;
dbo:formula "C22H30O" ;
dbo:inchi "InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol"@en ;
dbo:pubchem "40973"^^xsd:int ;
dbo:smiles "CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CCCCC34" ;
dbp:inchikey "RPLCPCMSCLEKRS-BPIQYHPVSA-N" ;
skos:broader csc:CHEMONTID_0001466 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desgsl" ;
skos:prefLabel "desogestrel"@nl .
csc:LELOWRISYMNNSU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II Art. 5.20.2.7. 'HCN'"@nl , "VLAR II bijl. 4.4.2 'cyaanwaterstof'"@nl ;
rdfs:seeAlso compound:768 ;
dbo:casNumber "74-90-8" , "341972-31-4" , "191234-22-7" ;
dbo:formula "CHN" ;
dbo:inchi "InChI=1S/CHN/c1-2/h1H" ;
dbo:iupacName "Formonitrile"@en ;
dbo:pubchem "768"^^xsd:int ;
dbo:smiles "C#N" ;
dbp:inchikey "LELOWRISYMNNSU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_009 ;
skos:altLabel "waterstofcyanide"@nl , "waterstofcyanide (hcn)"@nl ;
skos:broader csc:CHEMONTID_0000362 ;
skos:exactMatch wise:CAS_74-90-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCN" ;
skos:prefLabel "waterstofcyanide (HCN)"@nl ;
vcs:vmmParameterId "1158"^^xsd:int .
csc:PYZHTHZEHQHHEN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40500 ;
dbo:casNumber "52712-05-7" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-2-6(14)5(3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "40500"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "PYZHTHZEHQHHEN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB185" ;
skos:prefLabel "2,2',3,4,5,5',6-heptachloorbifenyl"@nl .
csc:PSZYNBSKGUBXEH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6812 ;
dbo:casNumber "68412-23-7" , "25155-19-5" , "85-47-2" , "119020-53-0" , "68153-01-5" ;
dbo:formula "C10H8O3S" ;
dbo:inchi "InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)" ;
dbo:iupacName "naphthalene-1-sulfonic acid"@en ;
dbo:pubchem "6812"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O" ;
dbp:inchikey "PSZYNBSKGUBXEH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003600 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Nafsfzr" ;
skos:prefLabel "1-naftaleensulfonzuur"@nl .
csc:BBJPZPLAZVZTGR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:32921 ;
dbo:casNumber "25366-23-8" ;
dbo:formula "C6H7F3N4OS" ;
dbo:inchi "InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)" ;
dbo:iupacName "1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea"@en ;
dbo:pubchem "32921"^^xsd:int ;
dbo:smiles "CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F" ;
dbp:inchikey "BBJPZPLAZVZTGR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004668 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thiazfrn" ;
skos:prefLabel "thiazafluron"@nl .
csc:ZMANZCXQSJIPKH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8471 ;
dbo:casNumber "121-44-8" , "168277-99-4" , "144514-14-7" , "172227-74-6" ;
dbo:formula "C6H15N" ;
dbo:inchi "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" ;
dbo:iupacName "N,N-Diethylethanamine"@en ;
dbo:pubchem "8471"^^xsd:int ;
dbo:smiles "CCN(CC)CC" ;
dbp:inchikey "ZMANZCXQSJIPKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yAe" ;
skos:prefLabel "triethylamine"@nl .
csc:BPFYOAJNDMUVBL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:60651 ;
dbo:casNumber "115550-35-1" ;
dbo:formula "C17H19FN4O4" ;
dbo:inchi "InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)" ;
dbo:iupacName "7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid"@en ;
dbo:pubchem "60651"^^xsd:int ;
dbo:smiles "CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F" ;
dbp:inchikey "BPFYOAJNDMUVBL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "marbofloxacine"@nl .
csc:WLFDQEVORAMCIM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:18290 ;
dbo:casNumber "3060-89-7" ;
dbo:formula "C9H11BrN2O2" ;
dbo:inchi "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" ;
dbo:iupacName "3-(4-Bromophenyl)-1-methoxy-1-methylurea"@en ;
dbo:pubchem "18290"^^xsd:int ;
dbo:smiles "CN(C(=O)NC1=CC=C(C=C1)Br)OC" ;
dbp:inchikey "WLFDQEVORAMCIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_3060-89-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metbmrn" ;
skos:prefLabel "metobromuron"@nl ;
vcs:vmmParameterId "801"^^xsd:int .
csc:HXVNBWAKAOHACI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11271 ;
dbo:casNumber "565-80-0" ;
dbo:formula "C7H14O" ;
dbo:inchi "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" ;
dbo:iupacName "2,4-Dimethylpentan-3-one"@en ;
dbo:pubchem "11271"^^xsd:int ;
dbo:smiles "CC(C)C(=O)C(C)C" ;
dbp:inchikey "HXVNBWAKAOHACI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yC5on" ;
skos:prefLabel "2,4-dimethyl-3-pentanon"@nl .
csc:SJEBAWHUJDUKQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6772 ;
dbo:casNumber "84-51-5" ;
dbo:formula "C16H12O2" ;
dbo:inchi "InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3" ;
dbo:iupacName "2-ethylanthracene-9,10-dione"@en ;
dbo:pubchem "6772"^^xsd:int ;
dbo:smiles "CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O" ;
dbp:inchikey "SJEBAWHUJDUKQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yatqnn" ;
skos:prefLabel "2-ethyl-anthraquinon"@nl .
csc:OCBHHZMJRVXXQK-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8755 ;
dbo:casNumber "68424-85-1" , "50641-12-8" , "68391-01-5" , "77465-44-2" , "113497-04-4" , "124548-64-7" , "139-08-2" , "51931-10-3" , "16287-71-1" ;
dbo:formula "C23H42ClN" ;
dbo:inchi "InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dimethyl-tetradecylazanium chloride"@en ;
dbo:pubchem "8755"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "OCBHHZMJRVXXQK-UHFFFAOYSA-M" ;
skos:altLabel "C12-C16-alkylbenzyldimethylammoniumchloride"@nl , "c12-c16-alkylbenzyldimethylammoniumchloride"@nl ;
skos:broader csc:CHEMONTID_0003977 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12C16akbzDC" , "benzDC1yC14y" ;
skos:prefLabel "benzyldimethyltetradecylammoniumchloride"@nl .
csc:KCXVZYZYPLLWCC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6049 ;
dbo:casNumber "10058-42-1" , "30485-87-1" , "13440-78-3" , "94108-75-5" , "32757-10-1" , "161122-33-4" , "20539-27-9" , "30485-88-2" , "60-00-4" , "26627-46-3" , "30485-90-6" ;
dbo:formula "C10H16N2O8" ;
dbo:inchi "InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)" ;
dbo:iupacName "2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid"@en ;
dbo:pubchem "6049"^^xsd:int ;
dbo:smiles "C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O" ;
dbp:inchikey "KCXVZYZYPLLWCC-UHFFFAOYSA-N" ;
skos:altLabel "ethyleendiaminetetraethaanzuur (EDTA)"@nl , "ethyleendiaminetetra-azijnzuur"@nl ;
skos:broader csc:CHEMONTID_0002966 ;
skos:exactMatch wise:CAS_60-00-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EDTA" ;
skos:prefLabel "ethyleendiaminetetraethaanzuur (edta)"@nl ;
vcs:vmmParameterId "885"^^xsd:int .
csc:BRCGUTSVMPKEKH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:424215 ;
dbo:casNumber "7529-52-4" ;
dbo:formula "C12H22Sn" ;
dbo:inchi "InChI=1S/2C6H11.Sn/c2*1-2-4-6-5-3-1;/h2*1H,2-6H2;" ;
dbo:iupacName "dicyclohexyltin"@en ;
dbo:pubchem "424215"^^xsd:int ;
dbo:smiles "C1CCC(CC1)[Sn]C2CCCCC2" ;
dbp:inchikey "BRCGUTSVMPKEKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001524 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "dicyclohexyltin"@nl .
csc:KLJOSQAQZMLLMB-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:115268 ;
dbo:casNumber "6385-62-2" ;
dbo:formula "C12H14Br2N2O" ;
dbo:inchi "InChI=1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2" ;
dbo:iupacName "7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate"@en ;
dbo:pubchem "115268"^^xsd:int ;
dbo:smiles "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]" ;
dbp:inchikey "KLJOSQAQZMLLMB-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001764 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DqDBrH2O" ;
skos:prefLabel "diquatdibromide-monohydraat"@nl .
csc:RYAUSSKQMZRMAI-ALOPSCKCSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93365 ;
dbo:casNumber "67564-91-4" , "76492-89-2" ;
dbo:formula "C20H33NO" ;
dbo:inchi "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" ;
dbo:iupacName "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine"@en ;
dbo:pubchem "93365"^^xsd:int ;
dbo:smiles "CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C" ;
dbp:inchikey "RYAUSSKQMZRMAI-ALOPSCKCSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenppmf" ;
skos:prefLabel "fenpropimorf"@nl .
csc:GHASVSINZRGABV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3385 ;
dbo:casNumber "1004-03-1" , "79108-01-3" , "4921-97-5" , "51-21-8" ;
dbo:formula "C4H3FN2O2" ;
dbo:inchi "InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)" ;
dbo:iupacName "5-fluoro-1H-pyrimidine-2,4-dione"@en ;
dbo:pubchem "3385"^^xsd:int ;
dbo:smiles "C1=C(C(=O)NC(=O)N1)F" ;
dbp:inchikey "GHASVSINZRGABV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001893 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurcl" ;
skos:prefLabel "fluracil"@nl .
csc:KKMLIVYBGSAJPM-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25506 ;
dbo:casNumber "12071-83-9" ;
dbo:formula "C5H8N2S4Zn" ;
dbo:inchi "InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2" ;
dbo:iupacName "zinc [1-(sulfidocarbothioylamino)propan-2-ylamino]methanedithioate"@en ;
dbo:pubchem "25506"^^xsd:int ;
dbo:smiles "CC(CN=C(S)[S-])N=C(S)[S-].[Zn+2]" ;
dbp:inchikey "KKMLIVYBGSAJPM-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0003997 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propnb" ;
skos:prefLabel "propineb"@nl .
csc:UELITFHSCLAHKR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86412 ;
dbo:casNumber "135158-54-2" ;
dbo:formula "C8H6N2OS2" ;
dbo:inchi "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" ;
dbo:iupacName "S-Methyl 1,2,3-benzothiadiazole-7-carbothioate"@en ;
dbo:pubchem "86412"^^xsd:int ;
dbo:smiles "CSC(=O)C1=C2C(=CC=C1)N=NS2" ;
dbp:inchikey "UELITFHSCLAHKR-UHFFFAOYSA-N" ;
skos:altLabel "acibenzolar-s-methyl"@nl ;
skos:broader csc:CHEMONTID_0002323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acbzlSC1y" ;
skos:prefLabel "acibenzolar-S-methyl"@nl .
csc:WMLPCIHUFDKWJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92420 ;
dbo:casNumber "94593-91-6" ;
dbo:formula "C15H19N5O7S" ;
dbo:inchi "InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)" ;
dbo:iupacName "3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-[2-(2-methoxyethoxy)phenyl]sulfonylurea"@en ;
dbo:pubchem "92420"^^xsd:int ;
dbo:smiles "COCCOC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC" ;
dbp:inchikey "WMLPCIHUFDKWJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cinsfrn" ;
skos:prefLabel "cinosulfuron"@nl .
csc:ONXPZLFXDMAPRO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16318 ;
dbo:casNumber "2051-24-3" ;
dbo:formula "C12Cl10" ;
dbo:inchi "InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene"@en ;
dbo:pubchem "16318"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "ONXPZLFXDMAPRO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB209" ;
skos:prefLabel "2,2',3,3',4,4',5,5',6,6'-decachloorbifenyl"@nl .
csc:WAKCWJNDXBPEBP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21205 ;
dbo:casNumber "5129-60-2" ;
dbo:formula "C17H34O2" ;
dbo:inchi "InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3" ;
dbo:iupacName "Methyl 14-methylpentadecanoate"@en ;
dbo:pubchem "21205"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCCCCCCCC(=O)OC" ;
dbp:inchikey "WAKCWJNDXBPEBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y14C1yC15a" ;
skos:prefLabel "methyl 14-methylpentadecanoaat"@nl .
csc:TVPFLPJBESCUKI-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31396 ;
dbo:casNumber "81990-01-4" , "128-03-0" ;
dbo:formula "C3H6KNS2" ;
dbo:inchi "InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1" ;
dbo:iupacName "potassium dimethylaminomethanedithioate"@en ;
dbo:pubchem "31396"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].[K+]" ;
dbp:inchikey "TVPFLPJBESCUKI-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KDC1yDtocbmt" ;
skos:prefLabel "kaliumdimethyldithiocarbamaat"@nl .
csc:ATJFFYVFTNAWJD-LZFNBGRKSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6336618 ;
dbo:casNumber "14683-08-0" ;
dbo:formula "Sn" ;
dbo:inchi "InChI=1S/Sn/i1+6" ;
dbo:iupacName "tin-125"@en ;
dbo:pubchem "6336618"^^xsd:int ;
dbo:smiles "[Sn]" ;
dbp:inchikey "ATJFFYVFTNAWJD-LZFNBGRKSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sn125" ;
skos:prefLabel "tin 125"@nl .
csc:KGHMWBNEMFNJFZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9126 ;
dbo:casNumber "192-65-4" ;
dbo:formula "C24H14" ;
dbo:inchi "InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H" ;
dbo:iupacName "hexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-1(22),2,4,6,8,10,12(24),13,15(23),16,18,20-dodecaene"@en ;
dbo:pubchem "9126"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC2=C1)C5=CC=CC=C5C6=CC=CC(=C64)C=C3" ;
dbp:inchikey "KGHMWBNEMFNJFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000316 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBaeP" ;
skos:prefLabel "dibenzo(a,e)pyreen"@nl .
csc:QUNWUDVFRNGTCO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4687 ;
dbo:casNumber "611-59-6" ;
dbo:formula "C7H8N4O2" ;
dbo:inchi "InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)" ;
dbo:iupacName "1,7-dimethyl-3H-purine-2,6-dione"@en ;
dbo:pubchem "4687"^^xsd:int ;
dbo:smiles "CN1C=NC2=C1C(=O)N(C(=O)N2)C" ;
dbp:inchikey "QUNWUDVFRNGTCO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "17DC1yxtne" ;
skos:prefLabel "1,7-dimethylxanthine"@nl .
csc:SCCDDNKJYDZXMM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39722 ;
dbo:casNumber "55353-08-7" , "50563-36-5" ;
dbo:formula "C13H18ClNO2" ;
dbo:inchi "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" ;
dbo:iupacName "2-Chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide"@en ;
dbo:pubchem "39722"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CCl" ;
dbp:inchikey "SCCDDNKJYDZXMM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DmtCl" ;
skos:prefLabel "dimethachloor"@nl .
csc:HOBAELRKJCKHQD-QNEBEIHSSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280581 ;
dbo:casNumber "1783-84-2" ;
dbo:formula "C20H34O2" ;
dbo:inchi "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-" ;
dbo:iupacName "(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid"@en ;
dbo:pubchem "5280581"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCC=CCCCCCCC(=O)O" ;
dbp:inchikey "HOBAELRKJCKHQD-QNEBEIHSSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c81114C20aTz" ;
skos:prefLabel "cis-8,11,14-eicosatrieenzuur"@nl .
csc:GKLVYJBZJHMRIY-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26476 ;
dbo:casNumber "14133-76-7" ;
dbo:formula "Tc" ;
dbo:inchi "InChI=1S/Tc/i1+1" ;
dbo:iupacName "TECHNETIUM"@en ;
dbo:pubchem "26476"^^xsd:int ;
dbo:smiles "[Tc]" ;
dbp:inchikey "GKLVYJBZJHMRIY-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tc99" ;
skos:prefLabel "technetium 99"@nl .
csc:PUYXTUJWRLOUCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86160 ;
dbo:casNumber "118134-30-8" ;
dbo:formula "C18H35NO2" ;
dbo:inchi "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" ;
dbo:iupacName "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-2-yl)methyl]-N-ethylpropan-1-amine"@en ;
dbo:pubchem "86160"^^xsd:int ;
dbo:smiles "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" ;
dbp:inchikey "PUYXTUJWRLOUCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:exactMatch wise:CAS_118134-30-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirxmne" ;
skos:prefLabel "spiroxamine"@nl ;
vcs:vmmParameterId "1480"^^xsd:int .
csc:IFTRQJLVEBNKJK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15431 ;
dbo:casNumber "1640-89-7" ;
dbo:formula "C7H14" ;
dbo:inchi "InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3" ;
dbo:iupacName "Ethylcyclopentane"@en ;
dbo:pubchem "15431"^^xsd:int ;
dbo:smiles "CCC1CCCC1" ;
dbp:inchikey "IFTRQJLVEBNKJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yccC5a" ;
skos:prefLabel "ethylcyclopentaan"@nl .
csc:VCHOFVSNWYPAEF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23229 ;
dbo:casNumber "6781-42-6" ;
dbo:formula "C10H10O2" ;
dbo:inchi "InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3" ;
dbo:iupacName "1-(3-acetylphenyl)ethanone"@en ;
dbo:pubchem "23229"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC(=CC=C1)C(=O)C" ;
dbp:inchikey "VCHOFVSNWYPAEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DactBen" ;
skos:prefLabel "1,3-diacetylbenzeen"@nl .
csc:CIFFBTOJCKSRJY-OLQVQODUSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:92888 ;
dbo:casNumber "1469-48-3" ;
dbo:formula "C8H9NO2" ;
dbo:inchi "InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+" ;
dbo:iupacName "(3aR,7aS)-3a,4,7,7a-tetrahydroisoindole-1,3-dione"@en ;
dbo:pubchem "92888"^^xsd:int ;
dbo:smiles "C1C=CCC2C1C(=O)NC2=O" ;
dbp:inchikey "CIFFBTOJCKSRJY-OLQVQODUSA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4Hflmde" ;
skos:prefLabel "tetrahydroftaalimide"@nl .
csc:KQBFUDNJKCZEDQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40476 ;
dbo:casNumber "52663-69-1" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-8(16)3-9(17)11(18)12(10)19/h1-3H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40476"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "KQBFUDNJKCZEDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB183" ;
skos:prefLabel "2,2',3,4,4',5',6-heptachloorbifenyl"@nl .
csc:WFRUBUQWJYMMRQ-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:76041 ;
dbo:casNumber "117925-64-1" , "2795-39-3" , "59112-13-9" , "62010-27-9" , "69458-54-4" ;
dbo:formula "C8F17KO3S" ;
dbo:inchi "InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1" ;
dbo:iupacName "potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate"@en ;
dbo:pubchem "76041"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[K+]" ;
dbp:inchikey "WFRUBUQWJYMMRQ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOS_K" ;
skos:prefLabel "perfluoroctaansulfonaat, kaliumzout"@nl .
csc:RULKYXXCCZZKDZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:21013 ;
dbo:casNumber "4901-51-3" , "25167-83-3" ;
dbo:formula "C6H2Cl4O" ;
dbo:inchi "InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H" ;
dbo:iupacName "2,3,4,5-TETRACHLOROPHENOL"@en ;
dbo:pubchem "21013"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O" ;
dbp:inchikey "RULKYXXCCZZKDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_4901-51-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2345T4ClFol" ;
skos:prefLabel "2,3,4,5-tetrachloorfenol"@nl ;
vcs:vmmParameterId "335"^^xsd:int .
csc:BMIPMKQAAJKBKP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8717 ;
dbo:casNumber "137-17-7" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3" ;
dbo:iupacName "2,4,5-Trimethylaniline"@en ;
dbo:pubchem "8717"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1C)N)C" ;
dbp:inchikey "BMIPMKQAAJKBKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "245TC1yAn" ;
skos:prefLabel "2,4,5-trimethylaniline"@nl .
csc:ONKNPOPIGWHAQC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91497 ;
dbo:casNumber "1222-05-5" , "80450-66-4" ;
dbo:formula "C18H26O" ;
dbo:inchi "InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3" ;
dbo:iupacName "4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene"@en ;
dbo:pubchem "91497"^^xsd:int ;
dbo:smiles "CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C" ;
dbp:inchikey "ONKNPOPIGWHAQC-UHFFFAOYSA-N" ;
skos:altLabel "hexahydrohexamethylcyclopentabenzopyran (HHCB)"@nl ;
skos:broader csc:CHEMONTID_0003411 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HHCB" ;
skos:prefLabel "hexahydrohexamethylcyclopentabenzopyran (hhcb)"@nl .
csc:YPJUNDFVDDCYIH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9777 ;
dbo:casNumber "375-22-4" ;
dbo:formula "C4HF7O2" ;
dbo:inchi "InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)" ;
dbo:iupacName "2,2,3,3,4,4,4-heptafluorobutanoic acid"@en ;
dbo:pubchem "9777"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "YPJUNDFVDDCYIH-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-butaanzuur (pfba)"@nl , "perfluor-n-butaanzuur"@nl , "perfluorbutaanzuur (pfba)"@nl , "perfluorbutaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFBA" ;
skos:prefLabel "Perfluoro-n-butaanzuur"@nl .
csc:KVQVGSDBGJXNGV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15264 ;
dbo:casNumber "1560-88-9" ;
dbo:formula "C19H40" ;
dbo:inchi "InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3" ;
dbo:iupacName "2-METHYLOCTADECANE"@en ;
dbo:pubchem "15264"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCC(C)C" ;
dbp:inchikey "KVQVGSDBGJXNGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC18a" ;
skos:prefLabel "2-methyloctadecaan"@nl .
csc:ARUVKPQLZAKDPS-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24462 ;
dbo:casNumber "10124-44-4" , "18939-61-2" , "7758-98-7" , "139939-69-8" ;
dbo:formula "CuO4S" ;
dbo:inchi "InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ;
dbo:iupacName "Copper sulfate"@en ;
dbo:pubchem "24462"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Cu+2]" ;
dbp:inchikey "ARUVKPQLZAKDPS-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000858 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CuSO4" ;
skos:prefLabel "kopersulfaat"@nl .
csc:MKXKFYHWDHIYRV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3397 ;
dbo:casNumber "13311-84-7" , "37209-54-4" , "337962-98-8" ;
dbo:formula "C11H11F3N2O3" ;
dbo:inchi "InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)" ;
dbo:iupacName "2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide"@en ;
dbo:pubchem "3397"^^xsd:int ;
dbo:smiles "CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F" ;
dbp:inchikey "MKXKFYHWDHIYRV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutmde" ;
skos:prefLabel "flutamide"@nl .
csc:LGRFSURHDFAFJT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6811 ;
dbo:casNumber "39363-63-8" , "85-44-9" , "68411-80-3" ;
dbo:formula "C8H4O3" ;
dbo:inchi "InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H" ;
dbo:iupacName "2-benzofuran-1,3-dione"@en ;
dbo:pubchem "6811"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)OC2=O" ;
dbp:inchikey "LGRFSURHDFAFJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001109 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ftaalzrahdde" ;
skos:prefLabel "ftaalzuuranhydride"@nl .
csc:QNVRIHYSUZMSGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12297 ;
dbo:casNumber "52019-78-0" , "54972-97-3" , "20281-86-1" , "26549-24-6" , "626-93-7" , "69203-06-1" , "37769-60-1" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" ;
dbo:iupacName "hexan-2-ol"@en ;
dbo:pubchem "12297"^^xsd:int ;
dbo:smiles "CCCCC(C)O" ;
dbp:inchikey "QNVRIHYSUZMSGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C6ol" ;
skos:prefLabel "2-hexanol"@nl .
csc:OMPJBNCRMGITSC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7187 ;
dbo:casNumber "132323-44-5" , "37370-29-9" , "143928-58-9" , "94-36-0" , "117989-71-6" ;
dbo:formula "C14H10O4" ;
dbo:inchi "InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "benzoyl benzenecarboperoxoate"@en ;
dbo:pubchem "7187"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2" ;
dbp:inchikey "OMPJBNCRMGITSC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004112 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzypO" ;
skos:prefLabel "benzoylperoxide"@nl .
csc:DNYWXJPIRSNXIP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:182782 ;
dbo:casNumber "127099-33-6" ;
dbo:formula "C2H2BrCl3" ;
dbo:inchi "InChI=1S/C2H2BrCl3/c3-1-2(4,5)6/h1H2" ;
dbo:iupacName "2-bromo-1,1,1-trichloroethane"@en ;
dbo:pubchem "182782"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)Br" ;
dbp:inchikey "DNYWXJPIRSNXIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "broomtrichloorethaan"@nl .
csc:BNWJOHGLIBDBOB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4276 ;
dbo:casNumber "607-91-0" ;
dbo:formula "C11H12O3" ;
dbo:inchi "InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3" ;
dbo:iupacName "4-methoxy-6-prop-2-enyl-1,3-benzodioxole"@en ;
dbo:pubchem "4276"^^xsd:int ;
dbo:smiles "COC1=CC(=CC2=C1OCO2)CC=C" ;
dbp:inchikey "BNWJOHGLIBDBOB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6all4C1ox13B" ;
skos:prefLabel "6-allyl-4-methoxy-1,3-benzodioxol"@nl .
csc:SEEPANYCNGTZFQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5215 ;
dbo:casNumber "68-35-9" , "141582-64-1" ;
dbo:formula "C10H10N4O2S" ;
dbo:inchi "InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)" ;
dbo:iupacName "4-amino-N-pyrimidin-2-ylbenzenesulfonamide"@en ;
dbo:pubchem "5215"^^xsd:int ;
dbo:smiles "C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "SEEPANYCNGTZFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfdazne" ;
skos:prefLabel "sulfadiazine"@nl .
csc:YRSSHOVRSMQULE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:74685 ;
dbo:casNumber "1891-95-8" ;
dbo:formula "C7H3Cl2NO" ;
dbo:inchi "InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H" ;
dbo:iupacName "3,5-Dichloro-4-hydroxybenzonitrile"@en ;
dbo:pubchem "74685"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)O)Cl)C#N" ;
dbp:inchikey "YRSSHOVRSMQULE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClOxnl" ;
skos:prefLabel "chlooroxynil"@nl .
csc:MYEIDJPOUKASEC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7197 ;
dbo:casNumber "94-58-6" ;
dbo:formula "C10H12O2" ;
dbo:inchi "InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3" ;
dbo:iupacName "5-Propyl-1,3-benzodioxole"@en ;
dbo:pubchem "7197"^^xsd:int ;
dbo:smiles "CCCC1=CC2=C(C=C1)OCO2" ;
dbp:inchikey "MYEIDJPOUKASEC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHsfl" ;
skos:prefLabel "dihydrosafrol"@nl .
csc:MZGNSEAPZQGJRB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6599 ;
dbo:casNumber "79-45-8" ;
dbo:formula "C3H7NS2" ;
dbo:inchi "InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)" ;
dbo:iupacName "dimethylaminomethanedithioic acid"@en ;
dbo:pubchem "6599"^^xsd:int ;
dbo:smiles "CN(C)C(=S)S" ;
dbp:inchikey "MZGNSEAPZQGJRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000004 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDtocbmt" ;
skos:prefLabel "dimethyldithiocarbamaat"@nl .
csc:PQTBTIFWAXVEPB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91760 ;
dbo:casNumber "99105-77-8" , "114680-61-4" , "123174-48-1" ;
dbo:formula "C14H13ClO5S" ;
dbo:inchi "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" ;
dbo:iupacName "2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione"@en ;
dbo:pubchem "91760"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl" ;
dbp:inchikey "PQTBTIFWAXVEPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004673 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulcton" ;
skos:prefLabel "sulcotrion"@nl .
csc:IJLXLZGJDSJGIQ-BILPMHSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:119086 ;
dbo:casNumber "24320-06-7" ;
dbo:formula "C22H32O3" ;
dbo:inchi "InChI=1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "119086"^^xsd:int ;
dbo:smiles "CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1C(=O)CO)C" ;
dbp:inchikey "IJLXLZGJDSJGIQ-BILPMHSYSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "org2058" ;
skos:prefLabel "16alfa-ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione"@nl .
csc:GRKDVZMVHOLESV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:101059 ;
dbo:casNumber "59447-55-1" ;
dbo:formula "C10H5Br5O2" ;
dbo:inchi "InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2" ;
dbo:iupacName "(2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate"@en ;
dbo:pubchem "101059"^^xsd:int ;
dbo:smiles "C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br" ;
dbp:inchikey "GRKDVZMVHOLESV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeBrFyC1yacl" ;
skos:prefLabel "(pentabroomfenyl)methylacrylaat"@nl .
csc:OGPBJKLSAFTDLK-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:105012 ;
dbo:casNumber "15585-10-1" ;
dbo:formula "Eu" ;
dbo:inchi "InChI=1S/Eu/i1+2" ;
dbo:iupacName "europium-154"@en ;
dbo:pubchem "105012"^^xsd:int ;
dbo:smiles "[Eu]" ;
dbp:inchikey "OGPBJKLSAFTDLK-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Eu154" ;
skos:prefLabel "europium 154"@nl .
csc:XEEYBQQBJWHFJM-AKLPVKDBSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104784 ;
dbo:casNumber "14596-12-4" ;
dbo:formula "Fe" ;
dbo:inchi "InChI=1S/Fe/i1+3" ;
dbo:iupacName "iron-59"@en ;
dbo:pubchem "104784"^^xsd:int ;
dbo:smiles "[Fe]" ;
dbp:inchikey "XEEYBQQBJWHFJM-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fe59" ;
skos:prefLabel "ijzer 59"@nl .
csc:RKZDZWJDQTZDLD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9147 ;
dbo:casNumber "203-64-5" ;
dbo:formula "C15H10" ;
dbo:inchi "InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2" ;
dbo:iupacName "tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene"@en ;
dbo:pubchem "9147"^^xsd:int ;
dbo:smiles "C1C2=CC=CC3=C2C4=C(C=CC=C41)C=C3" ;
dbp:inchikey "RKZDZWJDQTZDLD-UHFFFAOYSA-N" ;
skos:altLabel "4h-cyclopenta(def)fenantreen"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4HccPedefF02" ;
skos:prefLabel "4H-cyclopenta(def)fenantreen"@nl .
csc:UREBDLICKHMUKA-DVTGEIKXSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9782 ;
dbo:casNumber "378-44-9" ;
dbo:formula "C22H29FO5" ;
dbo:inchi "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1" ;
dbo:iupacName "(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "9782"^^xsd:int ;
dbo:smiles "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C" ;
dbp:inchikey "UREBDLICKHMUKA-DVTGEIKXSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "betmtsn" ;
skos:prefLabel "betamethason"@nl .
csc:UQEAIHBTYFGYIE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24764 ;
dbo:casNumber "107-46-0" , "9006-65-9" ;
dbo:formula "C6H18OSi2" ;
dbo:inchi "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" ;
dbo:iupacName "trimethyl-trimethylsilyloxysilane"@en ;
dbo:pubchem "24764"^^xsd:int ;
dbo:smiles "C[Si](C)(C)O[Si](C)(C)C" ;
dbp:inchikey "UQEAIHBTYFGYIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yDslxn" ;
skos:prefLabel "hexamethyldisiloxaan"@nl .
csc:ICVKYYINQHWDLM-YLNALPTESA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433274 ;
dbo:casNumber "1405-54-5" ;
dbo:formula "C50H83NO23" ;
dbo:inchi "InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30?,32-,33-,35+,36-,37-,38-,39?,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1" ;
dbo:iupacName "(2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde"@en ;
dbo:pubchem "6433274"^^xsd:int ;
dbo:smiles "CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.C(C(C(=O)O)O)(C(=O)O)O" ;
dbp:inchikey "ICVKYYINQHWDLM-YLNALPTESA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tylsnttt" ;
skos:prefLabel "tylosine tartraat"@nl .
csc:DWAQJAXMDSEUJJ-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6398973 ;
dbo:casNumber "57414-01-4" , "89830-27-3" , "91829-63-9" , "7631-90-5" , "69098-86-8" ;
dbo:formula "NaO3S-" ;
dbo:inchi "InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-2" ;
dbo:iupacName "SODIUM SULFITE"@en ;
dbo:pubchem "6398973"^^xsd:int ;
dbo:smiles "[O-]S(=O)[O-].[Na+]" ;
dbp:inchikey "DWAQJAXMDSEUJJ-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaHSO3" ;
skos:prefLabel "natriumwaterstofsulfiet"@nl .
csc:CTRLABGOLIVAIY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34312 ;
dbo:casNumber "28721-07-5" ;
dbo:formula "C15H12N2O2" ;
dbo:inchi "InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)" ;
dbo:iupacName "5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "34312"^^xsd:int ;
dbo:smiles "C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N" ;
dbp:inchikey "CTRLABGOLIVAIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxcbmzpne" ;
skos:prefLabel "oxcarbamazepine"@nl .
csc:JZRCRCFPVAXHHQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2782413 ;
dbo:casNumber "34598-33-9" ;
dbo:formula "C11H5F17O2" ;
dbo:inchi "InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)" ;
dbo:iupacName "4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid"@en ;
dbo:pubchem "2782413"^^xsd:int ;
dbo:smiles "C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O" ;
dbp:inchikey "JZRCRCFPVAXHHQ-UHFFFAOYSA-N" ;
skos:altLabel "2h,2h,3h,3h-perfluorundecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H-PFUdA" , "4H-PFUnDA" ;
skos:prefLabel "2H,2H,3H,3H-perfluorundecaanzuur"@nl .
csc:AAPVQEMYVNZIOO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13940 ;
dbo:casNumber "1031-07-8" , "6749-25-3" , "87695-43-0" ;
dbo:formula "C9H6Cl6O4S" ;
dbo:inchi "InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2" ;
dbo:iupacName "1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide"@en ;
dbo:pubchem "13940"^^xsd:int ;
dbo:smiles "C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "AAPVQEMYVNZIOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001184 ;
skos:exactMatch wise:CAS_1031-07-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endsfSO4" ;
skos:prefLabel "endosulfansulfaat"@nl ;
vcs:vmmParameterId "238"^^xsd:int .
csc:LFSAPCRASZRSKS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11419 ;
dbo:casNumber "583-60-8" , "24965-84-2" ;
dbo:formula "C7H12O" ;
dbo:inchi "InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3" ;
dbo:iupacName "2-methylcyclohexan-1-one"@en ;
dbo:pubchem "11419"^^xsd:int ;
dbo:smiles "CC1CCCCC1=O" ;
dbp:inchikey "LFSAPCRASZRSKS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_007 ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2-methylcyclohexanon"@nl .
csc:MCWXGJITAZMZEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3082 ;
dbo:casNumber "56833-73-9" , "79956-18-6" , "11003-53-5" , "11096-20-1" , "60-51-5" ;
dbo:formula "C5H12NO3PS2" ;
dbo:inchi "InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" ;
dbo:iupacName "2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide"@en ;
dbo:pubchem "3082"^^xsd:int ;
dbo:smiles "CNC(=O)CSP(=S)(OC)OC" ;
dbp:inchikey "MCWXGJITAZMZEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:exactMatch wise:CAS_60-51-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmtat" ;
skos:prefLabel "dimethoaat"@nl ;
vcs:vmmParameterId "396"^^xsd:int .
csc:IGFHQQFPSIBGKE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:1752 ;
dbo:casNumber "29832-11-9" , "68081-86-7" , "104-40-5" ;
dbo:formula "C15H24O" ;
dbo:inchi "InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3" ;
dbo:iupacName "4-NONYLPHENOL"@en ;
dbo:pubchem "1752"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=C(C=C1)O" ;
dbp:inchikey "IGFHQQFPSIBGKE-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_A_005 ;
skos:altLabel "4-n-nonylfenol"@nl ;
skos:broader csc:CHEMONTID_0004646 ;
skos:exactMatch wise:CAS_104-40-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C9yFol" ;
skos:prefLabel "4-nonylfenol"@nl ;
vcs:vmmParameterId "828"^^xsd:int .
csc:VUBDMGXNLNDGIY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61546 ;
dbo:casNumber "12057-74-8" ;
dbo:formula "Mg3P2" ;
dbo:inchi "InChI=1S/3Mg.2P/q3*+2;2*-3" ;
dbo:iupacName "trimagnesium phosphorus(-3) anion"@en ;
dbo:pubchem "61546"^^xsd:int ;
dbo:smiles "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" ;
dbp:inchikey "VUBDMGXNLNDGIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MgP" ;
skos:prefLabel "magnesiumfosfide"@nl .
csc:JPOPEORRMSDUIP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16495 ;
dbo:casNumber "2136-99-4" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,3,5,6-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "16495"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "JPOPEORRMSDUIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB202" ;
skos:prefLabel "2,2',3,3',5,5',6,6'-octachloorbifenyl"@nl .
csc:WATWJIUSRGPENY-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6335510 ;
dbo:casNumber "14683-10-4" ;
dbo:formula "Sb" ;
dbo:inchi "InChI=1S/Sb/i1+2" ;
dbo:iupacName "antimony-124"@en ;
dbo:pubchem "6335510"^^xsd:int ;
dbo:smiles "[Sb]" ;
dbp:inchikey "WATWJIUSRGPENY-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb124" ;
skos:prefLabel "antimoon 124"@nl .
csc:MNFMIVVPXOGUMX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36392 ;
dbo:casNumber "33245-39-5" ;
dbo:formula "C12H13ClF3N3O4" ;
dbo:inchi "InChI=1S/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3" ;
dbo:iupacName "N-(2-Chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline"@en ;
dbo:pubchem "36392"^^xsd:int ;
dbo:smiles "CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" ;
dbp:inchikey "MNFMIVVPXOGUMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluClaln" ;
skos:prefLabel "fluchloralin"@nl .
csc:DHVLDKHFGIVEIP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61948 ;
dbo:casNumber "35691-65-7" ;
dbo:formula "C6H6Br2N2" ;
dbo:inchi "InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2" ;
dbo:iupacName "2-BROMO-2-(BROMOMETHYL)PENTANEDINITRILE"@en ;
dbo:pubchem "61948"^^xsd:int ;
dbo:smiles "C(CC(CBr)(C#N)Br)C#N" ;
dbp:inchikey "DHVLDKHFGIVEIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DBr24DCNC4" ;
skos:prefLabel "1,2-dibroom-2,4-dicyanobutaan"@nl .
csc:CDTWRIBBCOMBSI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:296567 ;
dbo:casNumber "55429-83-9" ;
dbo:formula "C34H70" ;
dbo:inchi "InChI=1S/C34H70/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-27-30-33-34(31-28-25-14-11-8-5-2)32-29-26-15-12-9-6-3/h34H,4-33H2,1-3H3" ;
dbo:iupacName "9-octylhexacosane"@en ;
dbo:pubchem "296567"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(CCCCCCCC)CCCCCCCC" ;
dbp:inchikey "CDTWRIBBCOMBSI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9C8yC26a" ;
skos:prefLabel "9-octylhexacosaan"@nl .
csc:DXJURUJRANOYMX-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:76040 ;
dbo:casNumber "1493-13-6" , "2794-60-7" ;
dbo:formula "C2BaF6O6S2" ;
dbo:inchi "InChI=1S/2CHF3O3S.Ba/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2" ;
dbo:iupacName "barium(+2) cation; trifluoromethanesulfonate"@en ;
dbo:pubchem "76040"^^xsd:int ;
dbo:smiles "C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ba+2]" ;
dbp:inchikey "DXJURUJRANOYMX-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0004581 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFlC1asfzr" ;
skos:prefLabel "trifluormethaansulfonzuur"@nl .
csc:HXWHIGAHMKKVBV-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71079 ;
dbo:casNumber "335-93-3" ;
dbo:formula "C8AgF15O2" ;
dbo:inchi "InChI=1S/C8HF15O2.Ag/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1" ;
dbo:iupacName "silver 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate"@en ;
dbo:pubchem "71079"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Ag+]" ;
dbp:inchikey "HXWHIGAHMKKVBV-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA_Ag" ;
skos:prefLabel "perfluoroctaanzuur, zilver(1plus)zout (1-1)"@nl .
csc:AMFGTOFWMRQMEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32184 ;
dbo:casNumber "24017-47-8" ;
dbo:formula "C12H16N3O3PS" ;
dbo:inchi "InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidenephosphorane"@en ;
dbo:pubchem "32184"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2" ;
dbp:inchikey "AMFGTOFWMRQMEM-UHFFFAOYSA-N" ;
skos:altLabel "triazophos"@nl ;
skos:broader csc:CHEMONTID_0003314 ;
skos:exactMatch wise:CAS_24017-47-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tazfs" ;
skos:prefLabel "triazofos"@nl ;
vcs:vmmParameterId "406"^^xsd:int .
csc:GZCGUPFRVQAUEE-SLPGGIOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:107526 ;
dbo:casNumber "28823-03-2" , "9050-36-6" , "815-92-9" , "19030-38-7" ;
dbo:formula "C6H12O6" ;
dbo:inchi "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1" ;
dbo:iupacName "(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal"@en ;
dbo:pubchem "107526"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C=O)O)O)O)O)O" ;
dbp:inchikey "GZCGUPFRVQAUEE-SLPGGIOYSA-N" ;
skos:broader csc:CHEMONTID_0001498 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "maltdtne" ;
skos:prefLabel "maltodextrine"@nl .
csc:UNCGJRRROFURDV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38879 ;
dbo:casNumber "41464-43-1" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-5-4-7(6-11(9)15)8-2-1-3-10(14)12(8)16/h1-6H" ;
dbo:iupacName "1,2-dichloro-4-(2,3-dichlorophenyl)benzene"@en ;
dbo:pubchem "38879"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2)Cl)Cl" ;
dbp:inchikey "UNCGJRRROFURDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB56" ;
skos:prefLabel "2,3,3',4'-tetrachloorbifenyl"@nl .
csc:JWBOIMRXGHLCPP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4211 ;
dbo:casNumber "53-19-0" ;
dbo:formula "C14H10Cl4" ;
dbo:inchi "InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H" ;
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene"@en ;
dbo:pubchem "4211"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl" ;
dbp:inchikey "JWBOIMRXGHLCPP-UHFFFAOYSA-N" ;
skos:altLabel "o,p\uFFFD-ddd"@nl , "2,4'-dichloordifenyldichloorethaan"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_53-19-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DDD" ;
skos:prefLabel "op'dichloordifenyldichloorethaan"@nl ;
vcs:vmmParameterId "255"^^xsd:int .
csc:QVLAWKAXOMEXPM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12418 ;
dbo:casNumber "630-20-6" ;
dbo:formula "C2H2Cl4" ;
dbo:inchi "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2" ;
dbo:iupacName "1,1,1,2-TETRACHLOROETHANE"@en ;
dbo:pubchem "12418"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)Cl" ;
dbp:inchikey "QVLAWKAXOMEXPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_630-20-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1112T4ClC2a" ;
skos:prefLabel "1,1,1,2-tetrachloorethaan"@nl ;
vcs:vmmParameterId "313"^^xsd:int .
csc:CIOAGBVUUVVLOB-OUBTZVSYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5388880 ;
dbo:casNumber "14158-27-1" ;
dbo:formula "Sr" ;
dbo:inchi "InChI=1S/Sr/i1+1" ;
dbo:iupacName "strontium-89"@en ;
dbo:pubchem "5388880"^^xsd:int ;
dbo:smiles "[Sr]" ;
dbp:inchikey "CIOAGBVUUVVLOB-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sr89" ;
skos:prefLabel "strontium 89"@nl .
csc:MLPOSYHILZVCJH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33781 ;
dbo:casNumber "27323-28-0" ;
dbo:formula "C18H18N2" ;
dbo:inchi "InChI=1S/2C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-8-4-2-3-5-9(8)10-7/h2*2-6,10H,1H3" ;
dbo:iupacName "2-methyl-1H-indole; 5-methyl-1H-indole"@en ;
dbo:pubchem "33781"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)NC=C2.CC1=CC2=CC=CC=C2N1" ;
dbp:inchikey "MLPOSYHILZVCJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yidl" ;
skos:prefLabel "methylindool"@nl .
csc:IWDQPCIQCXRBQP-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8807 ;
dbo:casNumber "140-56-7" , "150-70-9" ;
dbo:formula "C8H10N3NaO3S" ;
dbo:inchi "InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1" ;
dbo:iupacName "sodium N-(4-dimethylaminophenyl)iminosulfamate"@en ;
dbo:pubchem "8807"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "IWDQPCIQCXRBQP-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenmnsf" ;
skos:prefLabel "fenaminosulf"@nl .
csc:JNRLEMMIVRBKJE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7567 ;
dbo:casNumber "30135-64-9" , "101-61-1" ;
dbo:formula "C17H22N2" ;
dbo:inchi "InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3" ;
dbo:iupacName "4-[(4-dimethylaminophenyl)methyl]-N,N-dimethylaniline"@en ;
dbo:pubchem "7567"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C" ;
dbp:inchikey "JNRLEMMIVRBKJE-UHFFFAOYSA-N" ;
skos:altLabel "4,4'-methyleenbis(N,N-dimethylaniline)"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44C1yebNNDC1" ;
skos:prefLabel "4,4'-methyleenbis(n,n-dimethylaniline)"@nl .
csc:YGFIGGVCQHKDOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61111 ;
dbo:casNumber "422-48-0" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-1(6)2(5,7)3(8,9)10/h1H" ;
dbo:iupacName "2,3-DICHLORO-1,1,1,2,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61111"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)F)(F)Cl)(F)Cl" ;
dbp:inchikey "YGFIGGVCQHKDOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225ba" ;
skos:prefLabel "2,3-dichloor-1,1,1,2,3-pentafluorpropaan"@nl .
csc:JAZBEHYOTPTENJ-JLNKQSITSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:446284 ;
dbo:casNumber "25377-48-4" , "10417-94-4" ;
dbo:formula "C20H30O2" ;
dbo:inchi "InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-" ;
dbo:iupacName "(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid"@en ;
dbo:pubchem "446284"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O" ;
dbp:inchikey "JAZBEHYOTPTENJ-JLNKQSITSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cC20aPezr" ;
skos:prefLabel "cis-5,8,11,14,17-eicosapentaeenzuur"@nl .
csc:CVHZOJJKTDOEJC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5143 ;
dbo:casNumber "126987-83-5" , "81-07-2" , "474-91-9" , "61255-27-4" ;
dbo:formula "C7H5NO3S" ;
dbo:inchi "InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)" ;
dbo:iupacName "1,1-dioxo-1,2-benzothiazol-3-one"@en ;
dbo:pubchem "5143"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)NS2(=O)=O" ;
dbp:inchikey "CVHZOJJKTDOEJC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "saccrne" ;
skos:prefLabel "saccharine"@nl .
csc:AFCCDDWKHLHPDF-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8727 ;
dbo:casNumber "144-54-7" , "6734-80-1" , "137-42-8" ;
dbo:formula "C2H4NNaS2" ;
dbo:inchi "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" ;
dbo:iupacName "sodium methylaminomethanedithioate"@en ;
dbo:pubchem "8727"^^xsd:int ;
dbo:smiles "CN=C(S)[S-].[Na+]" ;
dbp:inchikey "AFCCDDWKHLHPDF-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metNa" ;
skos:prefLabel "metham-natrium"@nl .
csc:GUTLYIVDDKVIGB-OIOBTWANSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:166998 ;
dbo:casNumber "14093-03-9" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co/i1-3" ;
dbo:iupacName "cobalt-56"@en ;
dbo:pubchem "166998"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "GUTLYIVDDKVIGB-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co56" ;
skos:prefLabel "kobalt 56"@nl .
csc:ODCWYMIRDDJXKW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5216 ;
dbo:casNumber "11141-20-1" , "12764-71-5" , "119603-94-0" , "39291-64-0" , "122-34-9" ;
dbo:formula "C7H12ClN5" ;
dbo:inchi "InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)" ;
dbo:iupacName "6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "5216"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)NCC" ;
dbp:inchikey "ODCWYMIRDDJXKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004721 ;
skos:exactMatch wise:CAS_122-34-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "simzne" ;
skos:prefLabel "simazine"@nl ;
vcs:vmmParameterId "280"^^xsd:int .
csc:VOPWNXZWBYDODV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6372 ;
dbo:casNumber "75-45-6" , "134191-96-1" , "73666-77-0" , "191542-01-5" ;
dbo:formula "CHClF2" ;
dbo:inchi "InChI=1S/CHClF2/c2-1(3)4/h1H" ;
dbo:iupacName "chloro-difluoromethane"@en ;
dbo:pubchem "6372"^^xsd:int ;
dbo:smiles "C(F)(F)Cl" ;
dbp:inchikey "VOPWNXZWBYDODV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK22" ;
skos:prefLabel "chloordifluormethaan"@nl .
csc:GOLXNESZZPUPJE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9907412 ;
dbo:casNumber "283594-90-1" ;
dbo:formula "C23H30O4" ;
dbo:inchi "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" ;
dbo:iupacName "[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate"@en ;
dbo:pubchem "9907412"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C" ;
dbp:inchikey "GOLXNESZZPUPJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmsfn" ;
skos:prefLabel "spiromesifen"@nl .
csc:IMKHDCBNRDRUEB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27209 ;
dbo:casNumber "19432-05-4" , "15356-74-8" , "17092-92-1" ;
dbo:formula "C11H16O2" ;
dbo:inchi "InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3" ;
dbo:iupacName "4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one"@en ;
dbo:pubchem "27209"^^xsd:int ;
dbo:smiles "CC1(CCCC2(C1=CC(=O)O2)C)C" ;
dbp:inchikey "IMKHDCBNRDRUEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000301 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5677aT4H447a" ;
skos:prefLabel "5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2-benzofuranon"@nl .
csc:WZDGZWOAQTVYBX-XOINTXKNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:444008 ;
dbo:casNumber "5630-53-5" ;
dbo:formula "C21H28O2" ;
dbo:inchi "InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1" ;
dbo:iupacName "(7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "444008"^^xsd:int ;
dbo:smiles "CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O" ;
dbp:inchikey "WZDGZWOAQTVYBX-XOINTXKNSA-N" ;
skos:broader csc:CHEMONTID_0001194 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tibln" ;
skos:prefLabel "tibolon"@nl .
csc:MDQKYGOECVSPIW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34217 ;
dbo:casNumber "28343-61-5" ;
dbo:formula "C8HCl3N2O" ;
dbo:inchi "InChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H" ;
dbo:iupacName "2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile"@en ;
dbo:pubchem "34217"^^xsd:int ;
dbo:smiles "C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O" ;
dbp:inchikey "MDQKYGOECVSPIW-UHFFFAOYSA-N" ;
skos:altLabel "4-hydroxy-2,5,6-trichloroisophthalonitrile"@nl ;
skos:broader csc:CHEMONTID_0001530 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HTI" ;
skos:prefLabel "4-hydroxy-2,5,6-trichloorisoftalonitril"@nl .
csc:LXOFYPKXCSULTL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31362 ;
dbo:casNumber "171023-04-4" , "37211-43-1" , "166737-17-3" , "126-86-3" , "8043-35-4" , "61879-19-4" ;
dbo:formula "C14H26O2" ;
dbo:inchi "InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3" ;
dbo:iupacName "2,4,7,9-Tetramethyldec-5-yne-4,7-diol"@en ;
dbo:pubchem "31362"^^xsd:int ;
dbo:smiles "CC(C)CC(C)(C#CC(C)(CC(C)C)O)O" ;
dbp:inchikey "LXOFYPKXCSULTL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001373 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2479T4C1y5dc" ;
skos:prefLabel "2,4,7,9-tetramethyl-5-decyn-4,7-diol"@nl .
csc:SFNPDDSJBGRXLW-UITAMQMPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5368008 ;
dbo:casNumber "34681-10-2" ;
dbo:formula "C7H14N2O2S" ;
dbo:inchi "InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5-" ;
dbo:iupacName "(3-methylsulfanylbutan-2-ylideneamino) N-methylcarbamate"@en ;
dbo:pubchem "5368008"^^xsd:int ;
dbo:smiles "CC(C(=NOC(=O)NC)C)SC" ;
dbp:inchikey "SFNPDDSJBGRXLW-UITAMQMPSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butcbOxm" ;
skos:prefLabel "butocarboxim"@nl .
csc:DDBMQDADIHOWIC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92389 ;
dbo:casNumber "74070-46-5" ;
dbo:formula "C12H9ClN2O3" ;
dbo:inchi "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" ;
dbo:iupacName "2-chloro-6-nitro-3-(phenoxy)aniline"@en ;
dbo:pubchem "92389"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl" ;
dbp:inchikey "DDBMQDADIHOWIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:exactMatch wise:CAS_74070-46-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acnfn" ;
skos:prefLabel "aclonifen"@nl ;
vcs:vmmParameterId "1523"^^xsd:int .
csc:RWNKSTSCBHKHTB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6901 ;
dbo:casNumber "87-68-3" ;
dbo:formula "C4Cl6" ;
dbo:inchi "InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10" ;
dbo:iupacName "1,1,2,3,4,4-hexachlorobuta-1,3-diene"@en ;
dbo:pubchem "6901"^^xsd:int ;
dbo:smiles "C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl" ;
dbp:inchikey "RWNKSTSCBHKHTB-UHFFFAOYSA-N" ;
skos:altLabel "hexachloorbutadieen"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_87-68-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxClbtDen" ;
skos:prefLabel "hexachloorbutadieen (hcbd)"@nl ;
vcs:vmmParameterId "245"^^xsd:int .
csc:HZJKXKUJVSEEFU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6336 ;
dbo:casNumber "96281-50-4" , "88671-89-0" , "154144-93-1" , "205862-69-7" ;
dbo:formula "C15H17ClN4" ;
dbo:inchi "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" ;
dbo:iupacName "2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile"@en ;
dbo:pubchem "6336"^^xsd:int ;
dbo:smiles "CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "HZJKXKUJVSEEFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mycbtnl" ;
skos:prefLabel "myclobutanil"@nl .
csc:ZUNGGJHBMLMRFJ-UHFFFAOYSA-O
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328134 ;
dbo:casNumber "15845-66-6" ;
dbo:formula "C2H6O3P+" ;
dbo:inchi "InChI=1S/C2H5O3P/c1-2-5-6(3)4/h2H2,1H3/p+1" ;
dbo:iupacName "ethoxy-hydroxy-oxophosphanium"@en ;
dbo:pubchem "6328134"^^xsd:int ;
dbo:smiles "CCO[P+](=O)O" ;
dbp:inchikey "ZUNGGJHBMLMRFJ-UHFFFAOYSA-O" ;
skos:broader csc:CHEMONTID_0000323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fostl" ;
skos:prefLabel "fosetyl"@nl .
csc:UAEPNZWRGJTJPN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7962 ;
dbo:casNumber "108-87-2" ;
dbo:formula "C7H14" ;
dbo:inchi "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" ;
dbo:iupacName "Methylcyclohexane"@en ;
dbo:pubchem "7962"^^xsd:int ;
dbo:smiles "CC1CCCCC1" ;
dbp:inchikey "UAEPNZWRGJTJPN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yccC6a" ;
skos:prefLabel "methylcyclohexaan"@nl .
csc:DZJTZGHZAWTWGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13558 ;
dbo:casNumber "926-82-9" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3" ;
dbo:iupacName "3,5-DIMETHYLHEPTANE"@en ;
dbo:pubchem "13558"^^xsd:int ;
dbo:smiles "CCC(C)CC(C)CC" ;
dbp:inchikey "DZJTZGHZAWTWGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DC1yC5a" ;
skos:prefLabel "3,5-dimethylheptaan"@nl .
csc:MFOUDYKPLGXPGO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4931 ;
dbo:casNumber "1918-16-7" , "63704-81-4" ;
dbo:formula "C11H14ClNO" ;
dbo:inchi "InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" ;
dbo:iupacName "2-chloro-N-phenyl-N-propan-2-ylacetamide"@en ;
dbo:pubchem "4931"^^xsd:int ;
dbo:smiles "CC(C)N(C1=CC=CC=C1)C(=O)CCl" ;
dbp:inchikey "MFOUDYKPLGXPGO-UHFFFAOYSA-N" ;
skos:altLabel "propachlor"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_1918-16-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propCl" ;
skos:prefLabel "propachloor"@nl ;
vcs:vmmParameterId "752"^^xsd:int .
csc:BKVJOVPVLOJPKJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17241 ;
dbo:casNumber "2497-06-5" ;
dbo:formula "C8H19O4PS3" ;
dbo:inchi "InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "17241"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCCS(=O)(=O)CC" ;
dbp:inchikey "BKVJOVPVLOJPKJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dsftsfn" ;
skos:prefLabel "disulfoton-sulfon"@nl .
csc:OMVSWZDEEGIJJI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23284 ;
dbo:casNumber "6846-50-0" , "53490-81-6" ;
dbo:formula "C16H30O4" ;
dbo:inchi "InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3" ;
dbo:iupacName "[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] 2-methylpropanoate"@en ;
dbo:pubchem "23284"^^xsd:int ;
dbo:smiles "CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C" ;
dbp:inchikey "OMVSWZDEEGIJJI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "224TC1y13C02" ;
skos:prefLabel "2,2,4-trimethyl-1,3-pentaandioldiisobutyraat"@nl .
csc:UTCJUUGCHWHUNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:115236 ;
dbo:casNumber "142363-53-9" ;
dbo:formula "C14H21NO5S" ;
dbo:inchi "InChI=1S/C14H21NO5S/c1-4-11-7-6-8-12(5-2)14(11)15(10-20-3)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)" ;
dbo:iupacName "2-[(2,6-diethylphenyl)-(methoxymethyl)amino]-2-oxoethanesulfonic acid"@en ;
dbo:pubchem "115236"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CS(=O)(=O)O" ;
dbp:inchikey "UTCJUUGCHWHUNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alClC2asfz" ;
skos:prefLabel "alachloorethaansulfonzuur"@nl .
csc:QELSKZZBTMNZEB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7175 ;
dbo:casNumber "85403-59-4" , "94-13-3" , "59593-07-6" ;
dbo:formula "C10H12O3" ;
dbo:inchi "InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3" ;
dbo:iupacName "Propyl 4-hydroxybenzoate"@en ;
dbo:pubchem "7175"^^xsd:int ;
dbo:smiles "CCCOC(=O)C1=CC=C(C=C1)O" ;
dbp:inchikey "QELSKZZBTMNZEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3y4HOxbzat" ;
skos:prefLabel "propyl-4-hydroxybenzoaat"@nl .
csc:IGIDLTISMCAULB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7755 ;
dbo:casNumber "105-43-1" , "22160-40-3" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)" ;
dbo:iupacName "3-METHYLPENTANOIC ACID"@en ;
dbo:pubchem "7755"^^xsd:int ;
dbo:smiles "CCC(C)CC(=O)O" ;
dbp:inchikey "IGIDLTISMCAULB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003544 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yC5azr" ;
skos:prefLabel "3-methylpentaanzuur"@nl .
csc:PGOOBECODWQEAB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:213027 ;
dbo:casNumber "205510-92-5" , "210880-92-5" , "205510-53-8" ;
dbo:formula "C6H8ClN5O2S" ;
dbo:inchi "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" ;
dbo:iupacName "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine"@en ;
dbo:pubchem "213027"^^xsd:int ;
dbo:smiles "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" ;
dbp:inchikey "PGOOBECODWQEAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002635 ;
skos:exactMatch wise:CAS_210880-92-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clotandne" ;
skos:prefLabel "clothianidine"@nl ;
vcs:vmmParameterId "1438"^^xsd:int .
csc:FMJSMJQBSVNSBF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22571 ;
dbo:casNumber "149984-83-8" , "6197-30-4" , "80135-31-5" ;
dbo:formula "C24H27NO2" ;
dbo:inchi "InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3" ;
dbo:iupacName "2-ethylhexyl 2-cyano-3,3-di(phenyl)prop-2-enoate"@en ;
dbo:pubchem "22571"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N" ;
dbp:inchikey "FMJSMJQBSVNSBF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "octclne" ;
skos:prefLabel "octocrilene"@nl .
csc:BOEGTKLJZSQCCD-UEKVPHQBSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47965 ;
dbo:casNumber "50370-12-2" ;
dbo:formula "C16H17N3O5S" ;
dbo:inchi "InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1" ;
dbo:iupacName "(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "47965"^^xsd:int ;
dbo:smiles "CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O" ;
dbp:inchikey "BOEGTKLJZSQCCD-UEKVPHQBSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefdxl" ;
skos:prefLabel "cefadroxil"@nl .
csc:OVWYEQOVUDKZNU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12105 ;
dbo:casNumber "620-23-5" ;
dbo:formula "C8H8O" ;
dbo:inchi "InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3" ;
dbo:iupacName "3-Methylbenzaldehyde"@en ;
dbo:pubchem "12105"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C=O" ;
dbp:inchikey "OVWYEQOVUDKZNU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yBenAh" ;
skos:prefLabel "3-methylbenzaldehyde"@nl .
csc:FARBQUXLIQOIDY-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62581 ;
dbo:casNumber "5538-94-3" ;
dbo:formula "C18H40ClN" ;
dbo:inchi "InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dimethyl-dioctylazanium chloride"@en ;
dbo:pubchem "62581"^^xsd:int ;
dbo:smiles "CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]" ;
dbp:inchikey "FARBQUXLIQOIDY-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DODMAC" ;
skos:prefLabel "dioctyldimethylammoniumchloride"@nl .
csc:PMZURENOXWZQFD-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24436 ;
dbo:casNumber "68140-10-3" , "68081-98-1" , "1337-28-6" , "67762-51-0" , "15124-09-1" , "7757-82-6" , "68412-82-8" ;
dbo:formula "Na2O4S" ;
dbo:inchi "InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2" ;
dbo:iupacName "Disodium sulfate"@en ;
dbo:pubchem "24436"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Na+].[Na+]" ;
dbp:inchikey "PMZURENOXWZQFD-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000660 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaSO4" ;
skos:prefLabel "natriumsulfaat"@nl .
csc:CMCJNODIWQEOAI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8345 ;
dbo:casNumber "117-83-9" ;
dbo:formula "C20H30O6" ;
dbo:inchi "InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3" ;
dbo:iupacName "bis(2-butoxyethyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8345"^^xsd:int ;
dbo:smiles "CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC" ;
dbp:inchikey "CMCJNODIWQEOAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "D2C4oxC2yFt" ;
skos:prefLabel "di-(2-butoxyethyl)ftalaat"@nl .
csc:LXQOQPGNCGEELI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7321 ;
dbo:casNumber "97-02-9" ;
dbo:formula "C6H5N3O4" ;
dbo:inchi "InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2" ;
dbo:iupacName "2,4-Dinitroaniline"@en ;
dbo:pubchem "7321"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N" ;
dbp:inchikey "LXQOQPGNCGEELI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DNO2An" ;
skos:prefLabel "2,4-dinitroaniline"@nl .
csc:ZMXDDKWLCZADIW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 N, N-dimethylformamide"@nl ;
rdfs:seeAlso compound:6228 ;
dbo:casNumber "15175-77-6" , "15175-63-0" , "114057-15-7" , "33513-42-7" , "68-12-2" ;
dbo:formula "C3H7NO" ;
dbo:inchi "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" ;
dbo:iupacName "N,N-Dimethylformamide"@en ;
dbo:pubchem "6228"^^xsd:int ;
dbo:smiles "CN(C)C=O" ;
dbp:inchikey "ZMXDDKWLCZADIW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_010 ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yfAd" ;
skos:prefLabel "dimethylformamide"@nl .
csc:VNWKTOKETHGBQD-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:105026 ;
dbo:casNumber "14762-74-4" ;
dbo:formula "CH4" ;
dbo:inchi "InChI=1S/CH4/h1H4/i1+1" ;
dbo:iupacName "Carbane-13"@en ;
dbo:pubchem "105026"^^xsd:int ;
dbo:smiles "C" ;
dbp:inchikey "VNWKTOKETHGBQD-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C13" ;
skos:prefLabel "koolstof 13"@nl .
csc:KRHYYFGTRYWZRS-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:28179 ;
dbo:casNumber "16984-48-8" ;
dbo:formula "F-" ;
dbo:inchi "InChI=1S/FH/h1H/p-1" ;
dbo:iupacName "fluoride"@en ;
dbo:pubchem "28179"^^xsd:int ;
dbo:smiles "[F-]" ;
dbp:inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-M" ;
dct:isReferencedBy co:CMA_2_II_A.14 , co:WAC_III_C_022 , co:CMA_2_II_B.1 , co:CMA_2_I_C.1.1 , co:WAC_III_C_020 , co:CMA_2_I_C.1.2 , co:CMA_2_I_C ;
skos:broader csc:CHEMONTID_0000432 ;
skos:exactMatch wise:CAS_16984-48-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "F" ;
skos:prefLabel "fluoride"@nl ;
vcs:vmmParameterId "1328"^^xsd:int , "5"^^xsd:int .
csc:VMSRVIHUFHQIAL-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31397 ;
dbo:casNumber "122544-46-1" , "191490-26-3" , "165724-02-7" , "72140-17-1" , "128-04-1" ;
dbo:formula "C3H6NNaS2" ;
dbo:inchi "InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1" ;
dbo:iupacName "sodium dimethylaminomethanedithioate"@en ;
dbo:pubchem "31397"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].[Na+]" ;
dbp:inchikey "VMSRVIHUFHQIAL-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaDC1yDtocbm" ;
skos:prefLabel "natriumdimethyldithiocarbamaat"@nl .
csc:OZDGMOYKSFPLSE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6377 ;
dbo:casNumber "18961-44-9" , "59204-10-3" , "18961-45-0" , "75-55-8" ;
dbo:formula "C3H7N" ;
dbo:inchi "InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3" ;
dbo:iupacName "2-Methylaziridine"@en ;
dbo:pubchem "6377"^^xsd:int ;
dbo:smiles "CC1CN1" ;
dbp:inchikey "OZDGMOYKSFPLSE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000103 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3yeimne" ;
skos:prefLabel "propyleenimine"@nl .
csc:SUVIGLJNEAMWEG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7848 ;
dbo:casNumber "107-03-9" , "79869-58-2" , "51285-52-0" ;
dbo:formula "C3H8S" ;
dbo:inchi "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" ;
dbo:iupacName "Propane-1-thiol"@en ;
dbo:pubchem "7848"^^xsd:int ;
dbo:smiles "CCCS" ;
dbp:inchikey "SUVIGLJNEAMWEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3atol" ;
skos:prefLabel "1-propaanthiol"@nl .
csc:YYDNBUBMBZRNQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:18521 ;
dbo:casNumber "3185-99-7" ;
dbo:formula "C8H10O2S" ;
dbo:inchi "InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3" ;
dbo:iupacName "1-methyl-4-methylsulfonylbenzene"@en ;
dbo:pubchem "18521"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)C" ;
dbp:inchikey "YYDNBUBMBZRNQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003276 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1asfn4C1yB" ;
skos:prefLabel "1-methaansulfonyl-4-methylbenzeen"@nl .
csc:WPRAXAOJIODQJR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:77193 ;
dbo:casNumber "3637-01-2" ;
dbo:formula "C10H12O" ;
dbo:inchi "InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3" ;
dbo:iupacName "1-(3,4-dimethylphenyl)ethanone"@en ;
dbo:pubchem "77193"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)C(=O)C)C" ;
dbp:inchikey "WPRAXAOJIODQJR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yactfnn" ;
skos:prefLabel "3,4-dimethylacetofenon"@nl .
csc:JOYRKODLDBILNP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5641 ;
dbo:casNumber "121382-27-2" , "26680-22-8" , "51-79-6" ;
dbo:formula "C3H7NO2" ;
dbo:inchi "InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)" ;
dbo:iupacName "Ethyl carbamate"@en ;
dbo:pubchem "5641"^^xsd:int ;
dbo:smiles "CCOC(=O)N" ;
dbp:inchikey "JOYRKODLDBILNP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "urtn" ;
skos:prefLabel "urethaan"@nl .
csc:ISAVYTVYFVQUDY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8814 ;
dbo:casNumber "37769-53-2" , "85771-77-3" , "140-66-9" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3" ;
dbo:iupacName "4-(2,4,4-trimethylpentan-2-yl)phenol"@en ;
dbo:pubchem "8814"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O" ;
dbp:inchikey "ISAVYTVYFVQUDY-UHFFFAOYSA-N" ;
skos:altLabel "4-tert-octylfenol"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_140-66-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC8yFol" ;
skos:prefLabel "4-tertiair-octylfenol"@nl ;
vcs:vmmParameterId "835"^^xsd:int .
csc:HQABUPZFAYXKJW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8007 ;
dbo:casNumber "85404-21-3" , "42939-72-0" , "50929-03-8" , "109-73-9" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" ;
dbo:iupacName "butan-1-amine"@en ;
dbo:pubchem "8007"^^xsd:int ;
dbo:smiles "CCCCN" ;
dbp:inchikey "HQABUPZFAYXKJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoC4a" ;
skos:prefLabel "1-aminobutaan"@nl .
csc:CHNQZRKUZPNOOH-UHFFFAOYSA-J
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91570 ;
dbo:casNumber "12656-69-8" , "172672-41-2" , "8018-01-7" ;
dbo:formula "C8H12MnN4S8Zn" ;
dbo:inchi "InChI=1S/2C4H8N2S4.Mn.Zn/c2*7-3(8)5-1-2-6-4(9)10;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;2*+2/p-4" ;
dbo:iupacName "zinc; manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "91570"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].C(CN=C(S)[S-])N=C(S)[S-].[Mn+2].[Zn+2]" ;
dbp:inchikey "CHNQZRKUZPNOOH-UHFFFAOYSA-J" ;
skos:broader csc:CHEMONTID_0004177 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "manczb" ;
skos:prefLabel "mancozeb"@nl .
csc:JGKJMBOJWVAMIJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17141 ;
dbo:casNumber "2451-01-6" ;
dbo:formula "C10H22O3" ;
dbo:inchi "InChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2" ;
dbo:iupacName "4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol hydrate"@en ;
dbo:pubchem "17141"^^xsd:int ;
dbo:smiles "CC1(CCC(CC1)C(C)(C)O)O.O" ;
dbp:inchikey "JGKJMBOJWVAMIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terpihdt" ;
skos:prefLabel "terpinhydraat"@nl .
csc:DIOQZVSQGTUSAI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:15600 ;
dbo:casNumber "73138-29-1" , "124-18-5" , "63335-87-5" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" ;
dbo:iupacName "Decane"@en ;
dbo:pubchem "15600"^^xsd:int ;
dbo:smiles "CCCCCCCCCC" ;
dbp:inchikey "DIOQZVSQGTUSAI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_006 , co:LUC_IV_000 ;
skos:altLabel "decaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C10a" ;
skos:prefLabel "n-decaan"@nl .
csc:XIGAUIHYSDTJHW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91716 ;
dbo:casNumber "73250-68-7" ;
dbo:formula "C16H14N2O2S" ;
dbo:inchi "InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3" ;
dbo:iupacName "2-(1,3-Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide"@en ;
dbo:pubchem "91716"^^xsd:int ;
dbo:smiles "CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2" ;
dbp:inchikey "XIGAUIHYSDTJHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mefnct" ;
skos:prefLabel "mefenacet"@nl .
csc:WEVYAHXRMPXWCK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6342 ;
dbo:casNumber "54841-72-4" , "75-05-8" , "26809-02-9" ;
dbo:formula "C2H3N" ;
dbo:inchi "InChI=1S/C2H3N/c1-2-3/h1H3" ;
dbo:iupacName "Acetonitrile"@en ;
dbo:pubchem "6342"^^xsd:int ;
dbo:smiles "CC#N" ;
dbp:inchikey "WEVYAHXRMPXWCK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actntl" ;
skos:prefLabel "acetonitril"@nl .
csc:YIKWKLYQRFRGPM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17110 ;
dbo:casNumber "2439-10-3" , "112-65-2" , "51426-08-5" , "15880-99-6" , "96923-04-5" ;
dbo:formula "C15H33N3O2" ;
dbo:inchi "InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" ;
dbo:iupacName "acetic acid; 2-dodecylguanidine"@en ;
dbo:pubchem "17110"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCN=C(N)N.CC(=O)O" ;
dbp:inchikey "YIKWKLYQRFRGPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000375 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dodne" ;
skos:prefLabel "dodine"@nl .
csc:VDQQXEISLMTGAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3641960 ;
dbo:casNumber "72793-59-0" , "1576-40-5" , "127-65-1" , "144-86-5" , "75532-46-6" , "8045-11-2" ;
dbo:formula "C7H7ClNNaO2S" ;
dbo:inchi "InChI=1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1" ;
dbo:iupacName "['sodium chloro-(4-methylphenyl)sulfonylazanide', 'sodium N-chloro-4-methylbenzenesulfonimidate']"@en ;
dbo:pubchem "3641960"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]" ;
dbp:inchikey "VDQQXEISLMTGAB-UHFFFAOYSA-N" ;
skos:altLabel "chlooramine-t"@nl ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClAeT" ;
skos:prefLabel "chlooramine-T"@nl .
csc:GQXSDDHYUVYJCQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:140270 ;
dbo:casNumber "17682-70-1" ;
dbo:formula "C12H20O6" ;
dbo:inchi "InChI=1S/C12H20O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h7-9,13H,5-6H2,1-4H3" ;
dbo:iupacName "(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl)methanol"@en ;
dbo:pubchem "140270"^^xsd:int ;
dbo:smiles "CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)CO)C" ;
dbp:inchikey "GQXSDDHYUVYJCQ-UHFFFAOYSA-N" ;
skos:altLabel "diaceton-l-sorbose"@nl ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DactLsbse" ;
skos:prefLabel "diaceton-L-sorbose"@nl .
csc:COAUHYBSXMIJDK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61112 ;
dbo:casNumber "422-56-0" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H" ;
dbo:iupacName "3,3-DICHLORO-1,1,1,2,2-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61112"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)F)(F)F)(Cl)Cl" ;
dbp:inchikey "COAUHYBSXMIJDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225ca" ;
skos:prefLabel "3,3-dichloor-1,1,1,2,2-pentafluorpropaan"@nl .
csc:RGSFGYAAUTVSQA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9253 ;
dbo:casNumber "68476-56-2" , "287-92-3" ;
dbo:formula "C5H10" ;
dbo:inchi "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" ;
dbo:iupacName "Cyclopentane"@en ;
dbo:pubchem "9253"^^xsd:int ;
dbo:smiles "C1CCCC1" ;
dbp:inchikey "RGSFGYAAUTVSQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ccC5a" ;
skos:prefLabel "cyclopentaan"@nl .
csc:PNVJTZOFSHSLTO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3346 ;
dbo:casNumber "55-38-9" ;
dbo:formula "C10H15O3PS2" ;
dbo:inchi "InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3" ;
dbo:iupacName "dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "3346"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC" ;
dbp:inchikey "PNVJTZOFSHSLTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_55-38-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenton" ;
skos:prefLabel "fenthion"@nl ;
vcs:vmmParameterId "500"^^xsd:int .
csc:FRQMUZJSZHZSGN-HBNHAYAOSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10631 ;
dbo:casNumber "520-85-4" ;
dbo:formula "C22H32O3" ;
dbo:inchi "InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1" ;
dbo:iupacName "(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "10631"^^xsd:int ;
dbo:smiles "CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C" ;
dbp:inchikey "FRQMUZJSZHZSGN-HBNHAYAOSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "medxprgtrn" ;
skos:prefLabel "medroxyprogesteron"@nl .
csc:PZBLUWVMZMXIKZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6785 ;
dbo:casNumber "84-72-0" ;
dbo:formula "C14H16O6" ;
dbo:inchi "InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "O1-(2-ethoxy-2-oxoethyl) O2-ethyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6785"^^xsd:int ;
dbo:smiles "CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC" ;
dbp:inchikey "PZBLUWVMZMXIKZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yFtyC2ygcl" ;
skos:prefLabel "ethyl ftalyl ethyl glycolaat"@nl .
csc:MWPLVEDNUUSJAV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8418 ;
dbo:casNumber "120-12-7" ;
dbo:formula "C14H10" ;
dbo:inchi "InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H" ;
dbo:iupacName "ANTHRACENE"@en ;
dbo:pubchem "8418"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C3C=CC=CC3=CC2=C1" ;
dbp:inchikey "MWPLVEDNUUSJAV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "antraceen"@nl ;
skos:broader csc:CHEMONTID_0000018 ;
skos:exactMatch wise:CAS_120-12-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ant" ;
skos:prefLabel "anthraceen"@nl ;
vcs:vmmParameterId "1421"^^xsd:int , "419"^^xsd:int .
csc:LGCMKPRGGJRYGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4602 ;
dbo:casNumber "526-18-1" ;
dbo:formula "C13H11NO3" ;
dbo:inchi "InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)" ;
dbo:iupacName "2-Hydroxy-N-(4-hydroxyphenyl)benzamide"@en ;
dbo:pubchem "4602"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O" ;
dbp:inchikey "LGCMKPRGGJRYGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "osmd" ;
skos:prefLabel "osalmid"@nl .
csc:KXYDGGNWZUHESZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:97788 ;
dbo:casNumber "122970-84-7" , "122970-88-1" , "472-41-3" , "122970-82-5" , "35485-38-2" , "122970-86-9" , "122970-81-4" , "122970-85-8" , "122970-87-0" , "56954-97-3" , "122970-83-6" ;
dbo:formula "C18H20O2" ;
dbo:inchi "InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3" ;
dbo:iupacName "4-(2,2,4-trimethylchroman-4-yl)phenol"@en ;
dbo:pubchem "97788"^^xsd:int ;
dbo:smiles "CC1(CC(C2=CC=CC=C2O1)(C)C3=CC=C(C=C3)O)C" ;
dbp:inchikey "KXYDGGNWZUHESZ-UHFFFAOYSA-N" ;
skos:altLabel "4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)fenol"@nl ;
skos:broader csc:CHEMONTID_0002581 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "434DH224TC1y" ;
skos:prefLabel "4-(3,4-dihydro-2,2,4-trimethyl-2h-1-benzopyran-4-yl)fenol"@nl .
csc:WERYXYBDKMZEQL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8064 ;
dbo:casNumber "732189-03-6" , "28324-25-6" , "110-63-4" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" ;
dbo:iupacName "Butane-1,4-diol"@en ;
dbo:pubchem "8064"^^xsd:int ;
dbo:smiles "C(CCO)CO" ;
dbp:inchikey "WERYXYBDKMZEQL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14C4aDol" ;
skos:prefLabel "1,4-butaandiol"@nl .
csc:GGYKPYDKXLHNTI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12523 ;
dbo:casNumber "638-36-8" ;
dbo:formula "C20H42" ;
dbo:inchi "InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3" ;
dbo:iupacName "2,6,10,14-TETRAMETHYLHEXADECANE"@en ;
dbo:pubchem "12523"^^xsd:int ;
dbo:smiles "CCC(C)CCCC(C)CCCC(C)CCCC(C)C" ;
dbp:inchikey "GGYKPYDKXLHNTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "261014T4C102" ;
skos:prefLabel "2,6,10,14-tetramethylhexadecaan"@nl .
csc:SXFLURRQRFKBNN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:63101 ;
dbo:casNumber "70362-49-1" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-3-1-2-7(4-9)8-5-10(14)12(16)11(15)6-8/h1-6H" ;
dbo:iupacName "1,2,3-trichloro-5-(3-chlorophenyl)benzene"@en ;
dbo:pubchem "63101"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl" ;
dbp:inchikey "SXFLURRQRFKBNN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB78" ;
skos:prefLabel "3,3',4,5-tetrachloorbifenyl"@nl .
csc:RSJKGSCJYJTIGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14257 ;
dbo:casNumber "1120-21-4" , "61193-21-3" ;
dbo:formula "C11H24" ;
dbo:inchi "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" ;
dbo:iupacName "Undecane"@en ;
dbo:pubchem "14257"^^xsd:int ;
dbo:smiles "CCCCCCCCCCC" ;
dbp:inchikey "RSJKGSCJYJTIGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C11a" ;
skos:prefLabel "undecaan"@nl .
csc:RGCVKNLCSQQDEP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4748 ;
dbo:casNumber "58-39-9" ;
dbo:formula "C21H26ClN3OS" ;
dbo:inchi "InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2" ;
dbo:iupacName "2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol"@en ;
dbo:pubchem "4748"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO" ;
dbp:inchikey "RGCVKNLCSQQDEP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "perfazne" ;
skos:prefLabel "perfenazine"@nl .
csc:DPJCXCZTLWNFOH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6946 ;
dbo:casNumber "88-74-4" ;
dbo:formula "C6H6N2O2" ;
dbo:inchi "InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2" ;
dbo:iupacName "2-Nitroaniline"@en ;
dbo:pubchem "6946"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)N)[N+](=O)[O-]" ;
dbp:inchikey "DPJCXCZTLWNFOH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2An" ;
skos:prefLabel "2-nitroaniline"@nl .
csc:QUYFPNWYGLFQQU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93071 ;
dbo:casNumber "13151-35-4" ;
dbo:formula "C11H24" ;
dbo:inchi "InChI=1S/C11H24/c1-4-6-8-10-11(3)9-7-5-2/h11H,4-10H2,1-3H3" ;
dbo:iupacName "5-Methyldecane"@en ;
dbo:pubchem "93071"^^xsd:int ;
dbo:smiles "CCCCCC(C)CCCC" ;
dbp:inchikey "QUYFPNWYGLFQQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1yC10a" ;
skos:prefLabel "5-methyldecaan"@nl .
csc:UQJQVUOTMVCFHX-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8891 ;
dbo:casNumber "111-54-6" , "142-59-6" ;
dbo:formula "C4H6N2Na2S4" ;
dbo:inchi "InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2" ;
dbo:iupacName "disodium [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "8891"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].[Na+].[Na+]" ;
dbp:inchikey "UQJQVUOTMVCFHX-UHFFFAOYSA-L" ;
skos:altLabel "ethyleenbisdithiocarbamaat"@nl ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yebDtocbmt" , "nabm" ;
skos:prefLabel "nabam"@nl .
csc:UHGULLIUJBCTEF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8706 ;
dbo:casNumber "120045-46-7" , "35858-53-8" , "136-95-8" ;
dbo:formula "C7H6N2S" ;
dbo:inchi "InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)" ;
dbo:iupacName "1,3-benzothiazol-2-amine"@en ;
dbo:pubchem "8706"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)N" ;
dbp:inchikey "UHGULLIUJBCTEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Aobztzl" ;
skos:prefLabel "2-aminobenzothiazool"@nl .
csc:MQIUGAXCHLFZKX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8346 ;
dbo:casNumber "117-84-0" , "68515-43-5" , "8031-29-6" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3" ;
dbo:iupacName "dioctyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8346"^^xsd:int ;
dbo:smiles "CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC" ;
dbp:inchikey "MQIUGAXCHLFZKX-UHFFFAOYSA-N" ;
skos:altLabel "di-n-octylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC8yFt" ;
skos:prefLabel "dioctylftalaat"@nl .
csc:GECHUMIMRBOMGK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5336 ;
dbo:casNumber "144-83-2" ;
dbo:formula "C11H11N3O2S" ;
dbo:inchi "InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)" ;
dbo:iupacName "4-amino-N-pyridin-2-ylbenzenesulfonamide"@en ;
dbo:pubchem "5336"^^xsd:int ;
dbo:smiles "C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "GECHUMIMRBOMGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfprdne" ;
skos:prefLabel "sulfapyridine"@nl .
csc:PAAZPARNPHGIKF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7839 ;
dbo:casNumber "106-93-4" , "624-61-3" , "8003-07-4" ;
dbo:formula "C2H4Br2" ;
dbo:inchi "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" ;
dbo:iupacName "['1,2-dibromoethyne', '1,2-Dibromoethane']"@en ;
dbo:pubchem "7839"^^xsd:int ;
dbo:smiles "C(CBr)Br" ;
dbp:inchikey "PAAZPARNPHGIKF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_002 ;
skos:broader csc:CHEMONTID_0001515 ;
skos:exactMatch wise:CAS_106-93-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DBrC2a" ;
skos:prefLabel "1,2-dibroomethaan"@nl ;
vcs:vmmParameterId "471"^^xsd:int .
csc:ZOXJGFHDIHLPTG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5462311 ;
dbo:casNumber "7440-42-8" ;
dbo:formula "B" ;
dbo:inchi "InChI=1S/B" ;
dbo:iupacName "Boron"@en ;
dbo:pubchem "5462311"^^xsd:int ;
dbo:smiles "[B]" ;
dbp:inchikey "ZOXJGFHDIHLPTG-UHFFFAOYSA-N" ;
skos:altLabel "boor, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:exactMatch wise:CAS_7440-42-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "B" ;
skos:prefLabel "boor"@nl ;
vcs:vmmParameterId "1989"^^xsd:int , "144"^^xsd:int , "145"^^xsd:int , "146"^^xsd:int , "1921"^^xsd:int .
csc:VRBKIVRKKCLPHA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4449 ;
dbo:casNumber "83366-66-9" ;
dbo:formula "C25H32ClN5O2" ;
dbo:inchi "InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3" ;
dbo:iupacName "2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one"@en ;
dbo:pubchem "4449"^^xsd:int ;
dbo:smiles "CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl" ;
dbp:inchikey "VRBKIVRKKCLPHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001984 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nefzdne" ;
skos:prefLabel "nefazodone"@nl .
csc:VKYKSIONXSXAKP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4101 ;
dbo:casNumber "56549-34-9" , "100-97-0" , "15978-33-3" , "24911-88-4" , "74734-16-0" , "11103-67-6" , "91773-48-7" ;
dbo:formula "C6H12N4" ;
dbo:inchi "InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2" ;
dbo:iupacName "1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane"@en ;
dbo:pubchem "4101"^^xsd:int ;
dbo:smiles "C1N2CN3CN1CN(C2)C3" ;
dbp:inchikey "VKYKSIONXSXAKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002798 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yeT4Ae" ;
skos:prefLabel "hexamethyleentetramine (Urotropine)"@nl .
csc:KFSLACSYHBJOPS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
dbo:casNumber "900-95-8" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/3C6H5.C2H3O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3;" ;
dbo:iupacName "tri(phenyl)stannyl acetate"@en ;
dbo:smiles "0" ;
dbp:inchikey "KFSLACSYHBJOPS-UHFFFAOYSA-N" ;
skos:altLabel "trifenyltinacetaat"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentactt" ;
skos:prefLabel "fentinacetaat"@nl .
csc:FITIWKDOCAUBQD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36870 ;
dbo:casNumber "34643-46-4" , "64772-54-9" ;
dbo:formula "C11H15Cl2O2PS2" ;
dbo:inchi "InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3" ;
dbo:iupacName "(2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "36870"^^xsd:int ;
dbo:smiles "CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "FITIWKDOCAUBQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protofs" ;
skos:prefLabel "prothiofos"@nl .
csc:ALZOLUNSQWINIR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91749 ;
dbo:casNumber "90717-03-6" ;
dbo:formula "C11H8ClNO2" ;
dbo:inchi "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" ;
dbo:iupacName "7-Chloro-3-methylquinoline-8-carboxylic acid"@en ;
dbo:pubchem "91749"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C(=C(C=C2)Cl)C(=O)O)N=C1" ;
dbp:inchikey "ALZOLUNSQWINIR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinmrc" ;
skos:prefLabel "quinmerac"@nl .
csc:LNDUTAIPEYOCDF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41736 ;
dbo:casNumber "56073-10-0" , "80449-88-3" ;
dbo:formula "C31H23BrO3" ;
dbo:inchi "InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2" ;
dbo:iupacName "3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one"@en ;
dbo:pubchem "41736"^^xsd:int ;
dbo:smiles "C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br" ;
dbp:inchikey "LNDUTAIPEYOCDF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002044 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "brodfcm" ;
skos:prefLabel "brodifacum"@nl .
csc:VBCVPMMZEGZULK-NRFANRHFSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:107720 ;
dbo:casNumber "174060-41-4" , "173584-44-6" ;
dbo:formula "C22H17ClF3N3O7" ;
dbo:inchi "InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1" ;
dbo:iupacName "methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[3,2-e][1,3,4]oxadiazine-4a-carboxylate"@en ;
dbo:pubchem "107720"^^xsd:int ;
dbo:smiles "COC(=O)C12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl" ;
dbp:inchikey "VBCVPMMZEGZULK-NRFANRHFSA-N" ;
skos:altLabel "indoxacarb (s-isomeer)"@nl ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indxcb" ;
skos:prefLabel "indoxacarb (S-isomeer)"@nl .
csc:NFGXHKASABOEEW-LDRANXPESA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5366546 ;
dbo:casNumber "40596-69-8" , "52020-07-2" , "208035-61-4" , "36557-27-4" , "208035-62-5" , "41205-06-5" , "65733-16-6" , "134678-54-9" ;
dbo:formula "C19H34O3" ;
dbo:inchi "InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+" ;
dbo:iupacName "['propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate', 'propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate']"@en ;
dbo:pubchem "5366546"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C=C(C)C=CCC(C)CCCC(C)(C)OC" ;
dbp:inchikey "NFGXHKASABOEEW-LDRANXPESA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metpn" ;
skos:prefLabel "methopreen"@nl .
csc:JDMFXJULNGEPOI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11846 ;
dbo:casNumber "608-31-1" , "51225-19-5" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2" ;
dbo:iupacName "2,6-DICHLOROANILINE"@en ;
dbo:pubchem "11846"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)N)Cl" ;
dbp:inchikey "JDMFXJULNGEPOI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_608-31-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClAn" ;
skos:prefLabel "2,6-dichlooraniline"@nl ;
vcs:vmmParameterId "46"^^xsd:int .
csc:PZBPKYOVPCNPJY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37175 ;
dbo:casNumber "35554-44-0" ;
dbo:formula "C14H14Cl2N2O" ;
dbo:inchi "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole"@en ;
dbo:pubchem "37175"^^xsd:int ;
dbo:smiles "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "PZBPKYOVPCNPJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002542 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imzll" ;
skos:prefLabel "imazalil"@nl .
csc:JQRZBPFGBRIWSN-YOTVLOEGSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:56329 ;
dbo:casNumber "88768-40-5" , "92077-78-6" ;
dbo:formula "C22H33N3O6" ;
dbo:inchi "InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1" ;
dbo:iupacName "(1S,9S)-9-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid hydrate"@en ;
dbo:pubchem "56329"^^xsd:int ;
dbo:smiles "CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O.O" ;
dbp:inchikey "JQRZBPFGBRIWSN-YOTVLOEGSA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cilzpl" ;
skos:prefLabel "cilazapril"@nl .
csc:CUTPKDUMZWIJKT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:94258 ;
dbo:casNumber "3330-15-2" ;
dbo:formula "C5HF11O" ;
dbo:inchi "InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H" ;
dbo:iupacName "1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane"@en ;
dbo:pubchem "94258"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F" ;
dbp:inchikey "CUTPKDUMZWIJKT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "F7C3yF4C2yEt" ;
skos:prefLabel "heptafluorpropyl 1,2,2,2-tetrafluorethylether"@nl .
csc:KVFIJIWMDBAGDP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26331 ;
dbo:casNumber "1392-50-3" , "13925-00-3" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3" ;
dbo:iupacName "2-ETHYLPYRAZINE"@en ;
dbo:pubchem "26331"^^xsd:int ;
dbo:smiles "CCC1=NC=CN=C1" ;
dbp:inchikey "KVFIJIWMDBAGDP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000067 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yprzne" ;
skos:prefLabel "2-ethylpyrazine"@nl .
csc:JYCQQPHGFMYQCF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5590 ;
dbo:casNumber "81398-86-9" , "13463-07-5" , "9077-65-0" , "39409-11-5" , "2315-67-5" , "111287-03-7" , "9010-43-9" , "66057-82-7" , "66057-69-0" , "9010-42-8" , "9002-93-1" , "63869-93-2" , "125692-92-4" , "66057-68-9" ;
dbo:formula "C16H26O2" ;
dbo:inchi "InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3" ;
dbo:iupacName "2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol"@en ;
dbo:pubchem "5590"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO" ;
dbp:inchikey "JYCQQPHGFMYQCF-UHFFFAOYSA-N" ;
skos:altLabel "triton x-100"@nl , "octoxynol-1"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "octxnl1" , "tritx100" ;
skos:prefLabel "triton X-100"@nl .
csc:IKHGUXGNUITLKF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:177 ;
dbo:casNumber "75-07-0" ;
dbo:formula "C2H4O" ;
dbo:inchi "InChI=1S/C2H4O/c1-2-3/h2H,1H3" ;
dbo:iupacName "acetaldehyde"@en ;
dbo:pubchem "177"^^xsd:int ;
dbo:smiles "CC=O" ;
dbp:inchikey "IKHGUXGNUITLKF-UHFFFAOYSA-N" ;
skos:altLabel "ethanal"@nl , "acetaldehyde "@nl ;
skos:broader csc:CHEMONTID_0002230 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2al" ;
skos:prefLabel "acetaldehyde"@nl .
csc:OCHOKXCPKDPNQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:19520 ;
dbo:casNumber "29555-44-0" , "39765-80-5" , "3734-49-4" , "24143-69-9" , "5103-73-1" ;
dbo:formula "C10H5Cl9" ;
dbo:inchi "InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H" ;
dbo:iupacName "1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene"@en ;
dbo:pubchem "19520"^^xsd:int ;
dbo:smiles "C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "OCHOKXCPKDPNQU-UHFFFAOYSA-N" ;
skos:altLabel "trans-nonachloor"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_39765-80-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tNnCl" , "cNnCl" ;
skos:prefLabel "cis-nonachloor"@nl ;
vcs:vmmParameterId "2091"^^xsd:int .
csc:OIQRYZXXBZHDRY-NNIZZXHBSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6321395 ;
dbo:casNumber "7481-49-4" , "64553-71-5" , "3761-53-3" ;
dbo:formula "C18H14N2Na2O7S2" ;
dbo:inchi "InChI=1S/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-9-13(28(22,23)24)5-4-12(14)8-16(18(17)21)29(25,26)27;;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-17+;;" ;
dbo:iupacName "disodium (4E)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,6-disulfonate"@en ;
dbo:pubchem "6321395"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)NN=C2C3=C(C=CC(=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+]" ;
dbp:inchikey "OIQRYZXXBZHDRY-NNIZZXHBSA-L" ;
skos:altLabel "c.i. food red 5"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cifrd5" ;
skos:prefLabel "C.I. Food Red 5"@nl .
csc:ZGCHATBSUIJLRL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24842 ;
dbo:casNumber "10034-93-2" , "13464-80-7" , "1184-66-3" , "95416-15-2" ;
dbo:formula "H6N2O4S" ;
dbo:inchi "InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)" ;
dbo:iupacName "hydrazine; sulfuric acid"@en ;
dbo:pubchem "24842"^^xsd:int ;
dbo:smiles "NN.OS(=O)(=O)O" ;
dbp:inchikey "ZGCHATBSUIJLRL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001077 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hydznSO4" ;
skos:prefLabel "hydrazinesulfaat"@nl .
csc:DNIAPMSPPWPWGF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:1030 ;
dbo:casNumber "4254-16-4" , "4254-15-3" , "190913-75-8" , "57-55-6" , "63625-56-9" ;
dbo:formula "C3H8O2" ;
dbo:inchi "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" ;
dbo:iupacName "PROPANE-1,2-DIOL"@en ;
dbo:pubchem "1030"^^xsd:int ;
dbo:smiles "CC(CO)O" ;
dbp:inchikey "DNIAPMSPPWPWGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C3yegcl" ;
skos:prefLabel "1,2-propyleenglycol"@nl .
csc:VHQQPFLOGSTQPC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12413 ;
dbo:casNumber "630-07-9" ;
dbo:formula "C35H72" ;
dbo:inchi "InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3" ;
dbo:iupacName "Pentatriacontane"@en ;
dbo:pubchem "12413"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "VHQQPFLOGSTQPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C35a" ;
skos:prefLabel "pentatriacontaan"@nl .
csc:NPOJQCVWMSKXDN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2943 ;
dbo:casNumber "87209-56-1" , "65862-98-8" , "1861-32-1" ;
dbo:formula "C10H6Cl4O4" ;
dbo:inchi "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" ;
dbo:iupacName "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate"@en ;
dbo:pubchem "2943"^^xsd:int ;
dbo:smiles "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" ;
dbp:inchikey "NPOJQCVWMSKXDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cltDC1y" ;
skos:prefLabel "chloorthal-dimethyl"@nl .
csc:WNMLTOIDDCEBNY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:118274 ;
dbo:casNumber "36065-30-2" ;
dbo:formula "C10H9Br5O" ;
dbo:inchi "InChI=1S/C10H9Br5O/c1-10(15,4-11)5-16-9-7(13)2-6(12)3-8(9)14/h2-3H,4-5H2,1H3" ;
dbo:iupacName "1,3,5-Tribromo-2-(2,3-dibromo-2-methylpropoxy)benzene"@en ;
dbo:pubchem "118274"^^xsd:int ;
dbo:smiles "CC(COC1=C(C=C(C=C1Br)Br)Br)(CBr)Br" ;
dbp:inchikey "WNMLTOIDDCEBNY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TBr223DBr" ;
skos:prefLabel "1,3,5-tribroom-2-(2,3-dibroom-2-methylpropoxy)benzeen"@nl .
csc:IOUNQDKNJZEDEP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4793 ;
dbo:casNumber "2310-17-0" , "29562-46-7" , "54182-71-7" , "11129-09-2" ;
dbo:formula "C12H15ClNO4PS2" ;
dbo:inchi "InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" ;
dbo:iupacName "6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one"@en ;
dbo:pubchem "4793"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O" ;
dbp:inchikey "IOUNQDKNJZEDEP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001973 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosln" ;
skos:prefLabel "fosalon"@nl .
csc:BTANRVKWQNVYAZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:6568 ;
dbo:casNumber "4221-99-2" , "15892-23-6" , "78-92-2" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" ;
dbo:iupacName "Butan-2-ol"@en ;
dbo:pubchem "6568"^^xsd:int ;
dbo:smiles "CCC(C)O" ;
dbp:inchikey "BTANRVKWQNVYAZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_009 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:altLabel "s-butanol"@nl ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4ol" ;
skos:prefLabel "2-butanol"@nl .
csc:RXDMAYSSBPYBFW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:153847 ;
dbo:casNumber "104030-54-8" ;
dbo:formula "C15H18Cl3NO" ;
dbo:inchi "InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)" ;
dbo:iupacName "2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide"@en ;
dbo:pubchem "153847"^^xsd:int ;
dbo:smiles "CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "RXDMAYSSBPYBFW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carppAd" ;
skos:prefLabel "carpropamide"@nl .
csc:DTDSAWVUFPGDMX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:177863 ;
dbo:casNumber "148477-71-8" ;
dbo:formula "C21H24Cl2O4" ;
dbo:inchi "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3" ;
dbo:iupacName "[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate"@en ;
dbo:pubchem "177863"^^xsd:int ;
dbo:smiles "CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "DTDSAWVUFPGDMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirdcfn" ;
skos:prefLabel "spirodiclofen"@nl .
csc:URDNHJIVMYZFRT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:53309 ;
dbo:casNumber "75432-64-3" , "66345-62-8" , "75736-33-3" , "83940-00-5" ;
dbo:formula "C15H19Cl2N3O" ;
dbo:inchi "InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3" ;
dbo:iupacName "1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol"@en ;
dbo:pubchem "53309"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O" ;
dbp:inchikey "URDNHJIVMYZFRT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcbtzl" ;
skos:prefLabel "diclobutrazool"@nl .
csc:VJYIFXVZLXQVHO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:47491 ;
dbo:casNumber "64902-72-3" , "79793-04-7" , "112143-77-8" ;
dbo:formula "C12H12ClN5O4S" ;
dbo:inchi "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" ;
dbo:iupacName "1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea"@en ;
dbo:pubchem "47491"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl" ;
dbp:inchikey "VJYIFXVZLXQVHO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004706 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clsfrn" ;
skos:prefLabel "chloorsulfuron"@nl .
csc:LHRIICYSGQGXSX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19052 ;
dbo:casNumber "3531-19-9" ;
dbo:formula "C6H4ClN3O4" ;
dbo:inchi "InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2" ;
dbo:iupacName "2-Chloro-4,6-dinitroaniline"@en ;
dbo:pubchem "19052"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-]" ;
dbp:inchikey "LHRIICYSGQGXSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6Cl24DNO2An" ;
skos:prefLabel "6-chloor-2,4-dinitroaniline"@nl .
csc:VHLKTXFWDRXILV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:176879 ;
dbo:casNumber "149877-41-8" ;
dbo:formula "C17H20N2O3" ;
dbo:inchi "InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)" ;
dbo:iupacName "propan-2-yl N-[(2-methoxy-5-phenylphenyl)amino]carbamate"@en ;
dbo:pubchem "176879"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC" ;
dbp:inchikey "VHLKTXFWDRXILV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bifnzt" ;
skos:prefLabel "bifenazaat"@nl .
csc:DBUXSCUEGJMZAE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6860 ;
dbo:casNumber "22967-92-6" ;
dbo:formula "CH3Hg+" ;
dbo:inchi "InChI=1S/CH3.Hg/h1H3;/q;+1" ;
dbo:iupacName "Methylmercury"@en ;
dbo:pubchem "6860"^^xsd:int ;
dbo:smiles "C[Hg+]" ;
dbp:inchikey "DBUXSCUEGJMZAE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004443 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yHg" ;
skos:prefLabel "methylkwik"@nl .
csc:VOWZNBNDMFLQGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7259 ;
dbo:casNumber "95-78-3" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2,5-Dimethylaniline"@en ;
dbo:pubchem "7259"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)N" ;
dbp:inchikey "VOWZNBNDMFLQGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004211 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25xyldne" ;
skos:prefLabel "2,5-xylidine"@nl .
csc:HXNFUBHNUDHIGC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4644 ;
dbo:casNumber "2465-59-0" ;
dbo:formula "C5H4N4O2" ;
dbo:inchi "InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)" ;
dbo:iupacName "1,2-dihydropyrazolo[4,3-e]pyrimidine-4,6-dione"@en ;
dbo:pubchem "4644"^^xsd:int ;
dbo:smiles "C1=C2C(=NC(=O)NC2=O)NN1" ;
dbp:inchikey "HXNFUBHNUDHIGC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oxprnl" ;
skos:prefLabel "oxypurinol"@nl .
csc:XLYOFNOQVPJJNP-ZSJDYOACSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24602 ;
dbo:casNumber "156428-50-1" , "39388-36-8" , "7789-20-0" ;
dbo:formula "H2O" ;
dbo:inchi "InChI=1S/H2O/h1H2/i/hD2" ;
dbo:iupacName "deuterated water"@en ;
dbo:pubchem "24602"^^xsd:int ;
dbo:smiles "O" ;
dbp:inchikey "XLYOFNOQVPJJNP-ZSJDYOACSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "D2O" ;
skos:prefLabel "deuterium oxide (zwaar water)"@nl .
csc:XEZVDURJDFGERA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17085 ;
dbo:casNumber "93966-37-1" , "98978-62-2" , "2433-96-7" , "94087-10-2" ;
dbo:formula "C23H46O2" ;
dbo:inchi "InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)" ;
dbo:iupacName "TRICOSANOIC ACID"@en ;
dbo:pubchem "17085"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "XEZVDURJDFGERA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C23azr" ;
skos:prefLabel "tricosaanzuur"@nl .
csc:IHPXJGBVRWFEJB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:19944 ;
dbo:casNumber "4032-93-3" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-8(2)6-7-10(5)9(3)4/h8-10H,6-7H2,1-5H3" ;
dbo:iupacName "2,3,6-TRIMETHYLHEPTANE"@en ;
dbo:pubchem "19944"^^xsd:int ;
dbo:smiles "CC(C)CCC(C)C(C)C" ;
dbp:inchikey "IHPXJGBVRWFEJB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "236TC1yC7a" ;
skos:prefLabel "2,3,6-trimethylheptaan"@nl .
csc:AMHNZOICSMBGDH-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8873 ;
dbo:casNumber "9006-42-2" , "12122-67-7" ;
dbo:formula "C4H6N2S4Zn" ;
dbo:inchi "InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2" ;
dbo:iupacName "zinc [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "8873"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].[Zn+2]" ;
dbp:inchikey "AMHNZOICSMBGDH-UHFFFAOYSA-L" ;
skos:altLabel "zineb"@nl ;
skos:broader csc:CHEMONTID_0004306 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metrm" , "zinb" ;
skos:prefLabel "metiram"@nl .
csc:VOXZDWNPVJITMN-ZBRFXRBCSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5757 ;
dbo:casNumber "50-28-2" , "73459-61-7" ;
dbo:formula "C18H24O2" ;
dbo:inchi "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"@en ;
dbo:pubchem "5757"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "VOXZDWNPVJITMN-ZBRFXRBCSA-N" ;
skos:altLabel "17beta-estradiol"@nl ;
skos:broader csc:CHEMONTID_0003570 ;
skos:exactMatch wise:CAS_50-28-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "17bestDol" ;
skos:prefLabel "17-beta-estradiol"@nl ;
vcs:vmmParameterId "964"^^xsd:int .
csc:KSQXVLVXUFHGJQ-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8587 ;
dbo:casNumber "132-27-4" , "6152-33-6" ;
dbo:formula "C12H9NaO" ;
dbo:inchi "InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1" ;
dbo:iupacName "sodium 2-phenylphenolate"@en ;
dbo:pubchem "8587"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]" ;
dbp:inchikey "KSQXVLVXUFHGJQ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaoFyfnt" ;
skos:prefLabel "natrium-ortho-fenylfenaat"@nl .
csc:WEAYCYAIVOIUMG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:69030 ;
dbo:casNumber "599-66-6" ;
dbo:formula "C14H14O2S" ;
dbo:inchi "InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3" ;
dbo:iupacName "1-methyl-4-(4-methylphenyl)sulfonylbenzene"@en ;
dbo:pubchem "69030"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C" ;
dbp:inchikey "WEAYCYAIVOIUMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003276 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y44C1yBen" ;
skos:prefLabel "1-methyl-4-(4-methylbenzeensulfonyl) benzeen"@nl .
csc:RMPWIIKNWPVWNG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37037 ;
dbo:casNumber "35065-30-6" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "37037"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "RMPWIIKNWPVWNG-UHFFFAOYSA-N" ;
skos:altLabel "2,2',3,3',4,4',5-heptachloorbifenyl"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-30-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB170" ;
skos:prefLabel "2,2',3,3',4,4',5-heptachloorbifenyl (pcb170)"@nl ;
vcs:vmmParameterId "759"^^xsd:int .
csc:HCRWJJJUKUVORR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13904 ;
dbo:casNumber "1014-69-3" ;
dbo:formula "C8H15N5S" ;
dbo:inchi "InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)" ;
dbo:iupacName "N'-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13904"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)NC)SC" ;
dbp:inchikey "HCRWJJJUKUVORR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_1014-69-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desmtn" ;
skos:prefLabel "desmetryn"@nl ;
vcs:vmmParameterId "529"^^xsd:int .
csc:NSKIRYMHNFTRLR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:154083 ;
dbo:casNumber "189084-64-8" ;
dbo:formula "C12H5Br5O" ;
dbo:inchi "InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H" ;
dbo:iupacName "1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene"@en ;
dbo:pubchem "154083"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2Br)Br)Br" ;
dbp:inchikey "NSKIRYMHNFTRLR-UHFFFAOYSA-N" ;
skos:altLabel "2,2',4,4',6-pentabroomdifenylether (bde100)"@nl , "2,2',4,4',6-pentabroomdifenylether"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_189084-64-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE100" ;
skos:prefLabel "bde 100"@nl ;
vcs:vmmParameterId "934"^^xsd:int .
csc:FALCMQXTWHPRIH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6565 ;
dbo:casNumber "78-88-6" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2" ;
dbo:iupacName "2,3-dichloroprop-1-ene"@en ;
dbo:pubchem "6565"^^xsd:int ;
dbo:smiles "C=C(CCl)Cl" ;
dbp:inchikey "FALCMQXTWHPRIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_78-88-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClC3e" ;
skos:prefLabel "2,3-dichloorpropeen"@nl ;
vcs:vmmParameterId "343"^^xsd:int .
csc:MNHVNIJQQRJYDH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6451142 ;
dbo:casNumber "178928-70-6" ;
dbo:formula "C14H15Cl2N3OS" ;
dbo:inchi "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" ;
dbo:iupacName "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione"@en ;
dbo:pubchem "6451142"^^xsd:int ;
dbo:smiles "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" ;
dbp:inchikey "MNHVNIJQQRJYDH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protocnzl" ;
skos:prefLabel "prothioconazool"@nl .
csc:OHSVLFRHMCKCQY-NJFSPNSNSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:161046 ;
dbo:casNumber "14265-75-9" ;
dbo:formula "Lu" ;
dbo:inchi "InChI=1S/Lu/i1+2" ;
dbo:iupacName "lutetium-177"@en ;
dbo:pubchem "161046"^^xsd:int ;
dbo:smiles "[Lu]" ;
dbp:inchikey "OHSVLFRHMCKCQY-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Lu177" ;
skos:prefLabel "lutetium 177"@nl .
csc:CKRXVVGETMYFIO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18134 ;
dbo:casNumber "1336-61-4" , "2991-50-6" ;
dbo:formula "C12H8F17NO4S" ;
dbo:inchi "InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)" ;
dbo:iupacName "2-(ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino)acetic acid"@en ;
dbo:pubchem "18134"^^xsd:int ;
dbo:smiles "CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "CKRXVVGETMYFIO-UHFFFAOYSA-N" ;
skos:altLabel "perfluoroctaansulfonylamide(N-ethyl)azijnzuur"@nl , "N-ethylperfluoroctaansulfonamido-azijnzuur"@nl , "n-ethylperfluoroctaansulfonamidoazijnzuur"@nl , "n-ethylperfluor-n-octaansulfonamido-azijnzuur (etpfosaa)"@nl ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EtPFOSAA" , "EtFOSAA" ;
skos:prefLabel "n-ethylperfluor-n-octaansulfonamido-azijnzuur"@nl .
csc:ZNQOETZUGRUONW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41088 ;
dbo:casNumber "54446-78-5" ;
dbo:formula "C8H18O3" ;
dbo:inchi "InChI=1S/C8H18O3/c1-3-4-5-10-6-7-11-8(2)9/h8-9H,3-7H2,1-2H3" ;
dbo:iupacName "1-(2-BUTOXYETHOXY)ETHANOL"@en ;
dbo:pubchem "41088"^^xsd:int ;
dbo:smiles "CCCCOCCOC(C)O" ;
dbp:inchikey "ZNQOETZUGRUONW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001092 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C4oxC2oxC2" ;
skos:prefLabel "1-(2-butoxyethoxy)-ethanol"@nl .
csc:JCXGWMGPZLAOME-OIOBTWANSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6336623 ;
dbo:casNumber "15776-19-9" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1-3" ;
dbo:iupacName "bismuth-206"@en ;
dbo:pubchem "6336623"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "JCXGWMGPZLAOME-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi206" ;
skos:prefLabel "bismuth 206"@nl .
csc:SNICXCGAKADSCV-JTQLQIEISA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:89594 ;
dbo:casNumber "54-11-5" ;
dbo:formula "C10H14N2" ;
dbo:inchi "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1" ;
dbo:iupacName "3-[(2S)-1-methylpyrrolidin-2-yl]pyridine"@en ;
dbo:pubchem "89594"^^xsd:int ;
dbo:smiles "CN1CCCC1C2=CN=CC=C2" ;
dbp:inchikey "SNICXCGAKADSCV-JTQLQIEISA-N" ;
skos:broader csc:CHEMONTID_0001975 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nictne" ;
skos:prefLabel "nicotine"@nl .
csc:BMTAFVWTTFSTOG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16181 ;
dbo:casNumber "2008-41-5" ;
dbo:formula "C11H23NOS" ;
dbo:inchi "InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3" ;
dbo:iupacName "S-ethyl (bis(2-methylpropyl)amino)methanethioate"@en ;
dbo:pubchem "16181"^^xsd:int ;
dbo:smiles "CCSC(=O)N(CC(C)C)CC(C)C" ;
dbp:inchikey "BMTAFVWTTFSTOG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yat" ;
skos:prefLabel "butylaat"@nl .
csc:NJMYODHXAKYRHW-DVZOWYKESA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5281881 ;
dbo:casNumber "2709-56-0" , "53772-82-0" ;
dbo:formula "C23H25F3N2OS" ;
dbo:inchi "InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-" ;
dbo:iupacName "2-[4-[(3Z)-3-[2-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol"@en ;
dbo:pubchem "5281881"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO" ;
dbp:inchikey "NJMYODHXAKYRHW-DVZOWYKESA-N" ;
skos:broader csc:CHEMONTID_0000199 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluptxl" ;
skos:prefLabel "flupentixol"@nl .
csc:NEHMKBQYUWJMIP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6327 ;
dbo:casNumber "2108-20-5" , "74-87-3" ;
dbo:formula "CH3Cl" ;
dbo:inchi "InChI=1S/CH3Cl/c1-2/h1H3" ;
dbo:iupacName "Chloromethane"@en ;
dbo:pubchem "6327"^^xsd:int ;
dbo:smiles "CCl" ;
dbp:inchikey "NEHMKBQYUWJMIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_74-87-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClC1a" ;
skos:prefLabel "chloormethaan"@nl ;
vcs:vmmParameterId "375"^^xsd:int .
csc:ZQDWXGKKHFNSQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3658 ;
dbo:casNumber "68-88-2" ;
dbo:formula "C21H27ClN2O2" ;
dbo:inchi "InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2" ;
dbo:iupacName "2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol"@en ;
dbo:pubchem "3658"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl" ;
dbp:inchikey "ZQDWXGKKHFNSQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hoxzne" ;
skos:prefLabel "hydroxyzine"@nl .
csc:BOTWFXYSPFMFNR-PYDDKJGSSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280435 ;
dbo:casNumber "5016-81-9" , "7541-49-3" , "150-86-7" ;
dbo:formula "C20H40O" ;
dbo:inchi "InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1" ;
dbo:iupacName "(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol"@en ;
dbo:pubchem "5280435"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C" ;
dbp:inchikey "BOTWFXYSPFMFNR-PYDDKJGSSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fytl" ;
skos:prefLabel "fytol"@nl .
csc:WABPQHHGFIMREM-BKFZFHPZSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335491 ;
dbo:casNumber "18879-28-2" , "15092-94-1" ;
dbo:formula "Pb" ;
dbo:inchi "InChI=1S/Pb/i1+5" ;
dbo:iupacName "lead-212"@en ;
dbo:pubchem "6335491"^^xsd:int ;
dbo:smiles "[Pb]" ;
dbp:inchikey "WABPQHHGFIMREM-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pb212" ;
skos:prefLabel "lood 212"@nl .
csc:BCTQJXQXJVLSIG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:41632 ;
dbo:casNumber "55814-41-0" ;
dbo:formula "C17H19NO2" ;
dbo:inchi "InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)" ;
dbo:iupacName "2-methyl-N-(3-propan-2-yloxyphenyl)benzamide"@en ;
dbo:pubchem "41632"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C" ;
dbp:inchikey "BCTQJXQXJVLSIG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mepnl" ;
skos:prefLabel "mepronil"@nl .
csc:RHSGYAYYVYMXIF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16204498 ;
dbo:casNumber "12008-41-2" , "12280-03-4" ;
dbo:formula "B8H8Na2O28-22" ;
dbo:inchi "InChI=1S/8BO3.2Na.4H2O/c8*2-1(3)4;;;;;;/h;;;;;;;;;;4*1H2/q8*-3;2*+1;;;;" ;
dbo:iupacName "Disodium octaborate tetrahydrate"@en ;
dbo:pubchem "16204498"^^xsd:int ;
dbo:smiles "B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].O.O.O.O.[Na+].[Na+]" ;
dbp:inchikey "RHSGYAYYVYMXIF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000895 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na2B8O13" ;
skos:prefLabel "dinatriumoctaboraat"@nl .
csc:KUFFULVDNCHOFZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7771 ;
dbo:casNumber "105-67-9" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" ;
dbo:iupacName "2,4-Dimethylphenol"@en ;
dbo:pubchem "7771"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)O)C" ;
dbp:inchikey "KUFFULVDNCHOFZ-UHFFFAOYSA-N" ;
skos:altLabel "2,4-xylenol "@nl , "2,4-dimethylfenol"@nl ;
skos:broader csc:CHEMONTID_0004212 ;
skos:exactMatch wise:CAS_105-67-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yFol" ;
skos:prefLabel "2,4-xylenol"@nl ;
vcs:vmmParameterId "207"^^xsd:int .
csc:SHOJXDKTYKFBRD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8858 ;
dbo:casNumber "141-79-7" ;
dbo:formula "C6H10O" ;
dbo:inchi "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" ;
dbo:iupacName "4-Methylpent-3-en-2-one"@en ;
dbo:pubchem "8858"^^xsd:int ;
dbo:smiles "CC(=CC(=O)C)C" ;
dbp:inchikey "SHOJXDKTYKFBRD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001363 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mestoxde" ;
skos:prefLabel "mesityloxide"@nl .
csc:IYJYQHRNMMNLRH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14766 ;
dbo:casNumber "162264-71-3" , "7758-17-0" , "12393-50-9" , "12598-12-8" , "180395-80-6" , "1302-42-7" , "11138-49-1" ;
dbo:formula "AlNaO2" ;
dbo:inchi "InChI=1S/Al.Na.2O/q-1;+1;;" ;
dbo:iupacName "sodium;dioxoalumanuide"@en ;
dbo:pubchem "14766"^^xsd:int ;
dbo:smiles "O=[Al-]=O.[Na+]" ;
dbp:inchikey "IYJYQHRNMMNLRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000530 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naalmnt" ;
skos:prefLabel "natriumaluminaat"@nl .
csc:NFQIYHPAGNZAOO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93289 ;
dbo:casNumber "53720-80-2" ;
dbo:formula "C16H13Cl5N2" ;
dbo:inchi "InChI=1S/C16H13Cl5N2/c17-11-3-1-5-13(9-11)22-7-8-23(15(22)16(19,20)21)14-6-2-4-12(18)10-14/h1-6,9-10,15H,7-8H2" ;
dbo:iupacName "1,3-Bis(3-chlorophenyl)-2-(trichloromethyl)imidazolidine"@en ;
dbo:pubchem "93289"^^xsd:int ;
dbo:smiles "C1CN(C(N1C2=CC(=CC=C2)Cl)C(Cl)(Cl)Cl)C3=CC(=CC=C3)Cl" ;
dbp:inchikey "NFQIYHPAGNZAOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002547 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tcfndne" ;
skos:prefLabel "trichlofenidine"@nl .
csc:AVRQBXVUUXHRMY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:87439 ;
dbo:casNumber "18063-03-1" ;
dbo:formula "C7H5F2NO" ;
dbo:inchi "InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" ;
dbo:iupacName "2,6-Difluorobenzamide"@en ;
dbo:pubchem "87439"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)N)F" ;
dbp:inchikey "AVRQBXVUUXHRMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003098 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DFBenAd" ;
skos:prefLabel "2,6-difluorbenzamide"@nl .
csc:XMGQYMWWDOXHJM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22311 ;
dbo:casNumber "7705-14-8" , "7721-11-1" , "65996-98-7" , "6876-12-6" , "8022-90-0" , "9003-73-0" , "8050-32-6" , "7705-13-7" , "138-86-3" , "555-08-8" , "68246-90-2" , "26123-39-7" , "95327-98-3" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" ;
dbo:iupacName "1-methyl-4-prop-1-en-2-ylcyclohexene"@en ;
dbo:pubchem "22311"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1)C(=C)C" ;
dbp:inchikey "XMGQYMWWDOXHJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "limnn" ;
skos:prefLabel "limoneen"@nl .
csc:GDLIGKIOYRNHDA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2801 ;
dbo:casNumber "83162-38-3" , "303-49-1" ;
dbo:formula "C19H23ClN2" ;
dbo:inchi "InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3" ;
dbo:iupacName "3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine"@en ;
dbo:pubchem "2801"^^xsd:int ;
dbo:smiles "CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl" ;
dbp:inchikey "GDLIGKIOYRNHDA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clompmne" ;
skos:prefLabel "clomipramine"@nl .
csc:QCFYJCYNJLBDRT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7944 ;
dbo:casNumber "52438-91-2" , "108-60-1" ;
dbo:formula "C6H12Cl2O" ;
dbo:inchi "InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "1-chloro-2-(1-chloropropan-2-yloxy)propane"@en ;
dbo:pubchem "7944"^^xsd:int ;
dbo:smiles "CC(CCl)OC(C)CCl" ;
dbp:inchikey "QCFYJCYNJLBDRT-UHFFFAOYSA-N" ;
skos:altLabel "2,2'-Dichloordiisopropyl ether"@nl , "bis-(2-chloorisopropyl)-ether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClDiC3yEtr" ;
skos:prefLabel "2,2'-dichloordiisopropyl ether"@nl .
csc:FSSPGSAQUIYDCN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14264 ;
dbo:casNumber "1120-71-4" ;
dbo:formula "C3H6O3S" ;
dbo:inchi "InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2" ;
dbo:iupacName "oxathiolane 2,2-dioxide"@en ;
dbo:pubchem "14264"^^xsd:int ;
dbo:smiles "C1COS(=O)(=O)C1" ;
dbp:inchikey "FSSPGSAQUIYDCN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001888 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3astn" ;
skos:prefLabel "propaansulton"@nl .
csc:FNCMBMZOZQAWJA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17521 ;
dbo:casNumber "2635-10-1" ;
dbo:formula "C11H15NO3S" ;
dbo:inchi "InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17521"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC" ;
dbp:inchikey "FNCMBMZOZQAWJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metocbSO" ;
skos:prefLabel "methiocarbsulfoxide"@nl .
csc:HDZGCSFEDULWCS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6061 ;
dbo:casNumber "60-34-4" ;
dbo:formula "CH6N2" ;
dbo:inchi "InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3" ;
dbo:iupacName "METHYLHYDRAZINE"@en ;
dbo:pubchem "6061"^^xsd:int ;
dbo:smiles "CNN" ;
dbp:inchikey "HDZGCSFEDULWCS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004511 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yhdzne" ;
skos:prefLabel "methylhydrazine"@nl .
csc:PQYJRMFWJJONBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31356 ;
dbo:casNumber "126-72-7" , "1867-14-7" , "55962-48-6" , "68112-30-1" ;
dbo:formula "C9H15Br6O4P" ;
dbo:inchi "InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2" ;
dbo:iupacName "['tris(2,3-dibromopropoxy)-hydroxyphosphanium', 'Tris(2,3-dibromopropyl) phosphate']"@en ;
dbo:pubchem "31356"^^xsd:int ;
dbo:smiles "C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br" ;
dbp:inchikey "PQYJRMFWJJONBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tris23DBrC3y" ;
skos:prefLabel "tris(2,3-dibroompropyl)fosfaat"@nl .
csc:BVKZGUZCCUSVTD-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:769 ;
dbo:casNumber "71-52-3" ;
dbo:formula "CHO3-" ;
dbo:inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1" ;
dbo:iupacName "hydrogen carbonate"@en ;
dbo:pubchem "769"^^xsd:int ;
dbo:smiles "C(=O)(O)[O-]" ;
dbp:inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001521 ;
skos:exactMatch wise:CAS_71-52-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCO3" ;
skos:prefLabel "waterstofcarbonaat"@nl ;
vcs:vmmParameterId "2"^^xsd:int .
csc:BZCXQYVNASLLQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33743 ;
dbo:casNumber "27208-37-3" ;
dbo:formula "C18H10" ;
dbo:inchi "InChI=1S/C18H10/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-10H" ;
dbo:iupacName "pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene"@en ;
dbo:pubchem "33743"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=C4C=CC5=C4C3=C(C=C2)C=C5" ;
dbp:inchikey "BZCXQYVNASLLQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001851 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycPecdPyr" ;
skos:prefLabel "cyclopenta(cd)pyreen"@nl .
csc:XGWIJUOSCAQSSV-VPHXOMNUSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:73673 ;
dbo:casNumber "78587-05-0" ;
dbo:formula "C17H21ClN2O2S" ;
dbo:inchi "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15?/m0/s1" ;
dbo:iupacName "(4S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide"@en ;
dbo:pubchem "73673"^^xsd:int ;
dbo:smiles "CC1C(SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl" ;
dbp:inchikey "XGWIJUOSCAQSSV-VPHXOMNUSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hextazx" ;
skos:prefLabel "hexythiazox"@nl .
csc:ZXVONLUNISGICL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10800 ;
dbo:casNumber "534-52-1" , "53240-95-2" , "37359-43-6" , "8071-51-0" , "8068-73-3" ;
dbo:formula "C7H6N2O5" ;
dbo:inchi "InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3" ;
dbo:iupacName "2-Methyl-4,6-dinitrophenol"@en ;
dbo:pubchem "10800"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "ZXVONLUNISGICL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:exactMatch wise:CAS_534-52-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DNOC" ;
skos:prefLabel "4,6-dinitro-o-cresol"@nl ;
vcs:vmmParameterId "210"^^xsd:int .
csc:CMOYPQWMTBSLJK-KAMYIIQDSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282107 ;
dbo:casNumber "140-03-4" ;
dbo:formula "C21H38O4" ;
dbo:inchi "InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-" ;
dbo:iupacName "methyl (Z)-12-acetyloxyoctadec-9-enoate"@en ;
dbo:pubchem "5282107"^^xsd:int ;
dbo:smiles "CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C" ;
dbp:inchikey "CMOYPQWMTBSLJK-KAMYIIQDSA-N" ;
skos:altLabel "methyl O-acetylricinoleaat"@nl ;
skos:broader csc:CHEMONTID_0001722 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yOactrcnla" ;
skos:prefLabel "methyl o-acetylricinoleaat"@nl .
csc:GZCRRIHWUXGPOV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23958 ;
dbo:casNumber "7440-27-9" , "110424-82-3" ;
dbo:formula "Tb" ;
dbo:inchi "InChI=1S/Tb" ;
dbo:iupacName "TERBIUM"@en ;
dbo:pubchem "23958"^^xsd:int ;
dbo:smiles "[Tb]" ;
dbp:inchikey "GZCRRIHWUXGPOV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tb" ;
skos:prefLabel "terbium"@nl .
csc:VOZKAJLKRJDJLL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7261 ;
dbo:casNumber "12236-56-5" , "95-80-7" , "85898-88-0" , "71111-07-4" ;
dbo:formula "C7H10N2" ;
dbo:inchi "InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3" ;
dbo:iupacName "4-methylbenzene-1,3-diamine"@en ;
dbo:pubchem "7261"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N)N" ;
dbp:inchikey "VOZKAJLKRJDJLL-UHFFFAOYSA-N" ;
skos:altLabel "2,4-diaminotolueen"@nl ;
skos:broader csc:CHEMONTID_0003965 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DAoTol" ;
skos:prefLabel "2,4-diaminotoluene"@nl .
csc:UWTUEMKLYAGTNQ-UPHRSURJSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:643776 ;
dbo:casNumber "590-11-4" , "540-49-8" ;
dbo:formula "C2H2Br2" ;
dbo:inchi "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-" ;
dbo:iupacName "(Z)-1,2-dibromoethene"@en ;
dbo:pubchem "643776"^^xsd:int ;
dbo:smiles "C(=CBr)Br" ;
dbp:inchikey "UWTUEMKLYAGTNQ-UPHRSURJSA-N" ;
skos:altLabel "som 1,2-dibroometheen (som cis- en trans-)"@nl ;
skos:broader csc:CHEMONTID_0002864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t12DBrC2e" , "s12DBrC2e" ;
skos:prefLabel "trans-1,2-dibroometheen"@nl .
csc:DQWPFSLDHJDLRL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6535 ;
dbo:casNumber "78-40-0" ;
dbo:formula "C6H15O4P" ;
dbo:inchi "InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3" ;
dbo:iupacName "['triethoxy-hydroxyphosphanium', 'Triethyl phosphate']"@en ;
dbo:pubchem "6535"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OCC" ;
dbp:inchikey "DQWPFSLDHJDLRL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yPO4" ;
skos:prefLabel "triethylfosfaat"@nl .
csc:HQJQYILBCQPYBI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7110 ;
dbo:casNumber "92-86-4" ;
dbo:formula "C12H8Br2" ;
dbo:inchi "InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H" ;
dbo:iupacName "1-bromo-4-(4-bromophenyl)benzene"@en ;
dbo:pubchem "7110"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br" ;
dbp:inchikey "HQJQYILBCQPYBI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB15" ;
skos:prefLabel "4,4'-dibroombifenyl"@nl .
csc:GHGCUYKTGPFCTK-LZOIJMLOSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436297 ;
dbo:casNumber "77108-06-6" , "66346-04-1" , "76738-62-0" ;
dbo:formula "C30H40Cl2N6O2" ;
dbo:inchi "InChI=1S/2C15H20ClN3O/c2*1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h2*4-7,9-10,13-14,20H,8H2,1-3H3/t2*13?,14-/m10/s1" ;
dbo:iupacName "(3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol; (3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol"@en ;
dbo:pubchem "6436297"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O.CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O" ;
dbp:inchikey "GHGCUYKTGPFCTK-LZOIJMLOSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pacbtzl" ;
skos:prefLabel "paclobutrazol"@nl .
csc:QLHULAHOXSSASE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:125098 ;
dbo:casNumber "119515-38-7" , "658051-75-3" ;
dbo:formula "C12H23NO3" ;
dbo:inchi "InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3" ;
dbo:iupacName "butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate"@en ;
dbo:pubchem "125098"^^xsd:int ;
dbo:smiles "CCC(C)OC(=O)N1CCCCC1CCO" ;
dbp:inchikey "QLHULAHOXSSASE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002411 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "icrdn" ;
skos:prefLabel "icaridin"@nl .
csc:KAKZBPTYRLMSJV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7845 ;
dbo:casNumber "106-99-0" , "68514-37-4" , "68441-48-5" , "130983-70-9" , "25339-57-5" ;
dbo:formula "C4H6" ;
dbo:inchi "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" ;
dbo:iupacName "Buta-1,3-diene"@en ;
dbo:pubchem "7845"^^xsd:int ;
dbo:smiles "C=CC=C" ;
dbp:inchikey "KAKZBPTYRLMSJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13butDen" ;
skos:prefLabel "1,3-butadieen"@nl .
csc:AHTPATJNIAFOLR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:73674 ;
dbo:casNumber "79277-27-3" ;
dbo:formula "C12H13N5O6S2" ;
dbo:inchi "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" ;
dbo:iupacName "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate"@en ;
dbo:pubchem "73674"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" ;
dbp:inchikey "AHTPATJNIAFOLR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thifsfrnC1y" ;
skos:prefLabel "thifensulfuron-methyl"@nl .
csc:OKUGPJPKMAEJOE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16003 ;
dbo:casNumber "1929-77-7" ;
dbo:formula "C10H21NOS" ;
dbo:inchi "InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3" ;
dbo:iupacName "S-propyl (dipropylamino)methanethioate"@en ;
dbo:pubchem "16003"^^xsd:int ;
dbo:smiles "CCCN(CCC)C(=O)SCCC" ;
dbp:inchikey "OKUGPJPKMAEJOE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vernlt" ;
skos:prefLabel "vernolaat"@nl .
csc:IXORZMNAPKEEDV-QTWFBFKQSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:439551 ;
dbo:casNumber "77-06-5" ;
dbo:formula "C19H22O6" ;
dbo:inchi "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16?,17+,18+,19-/m1/s1" ;
dbo:iupacName "(1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid"@en ;
dbo:pubchem "439551"^^xsd:int ;
dbo:smiles "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" ;
dbp:inchikey "IXORZMNAPKEEDV-QTWFBFKQSA-N" ;
skos:broader csc:CHEMONTID_0004013 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gebbrlnzr" ;
skos:prefLabel "gibberellinezuur"@nl .
csc:VXLYOURCUVQYLN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:581393 ;
dbo:casNumber "18368-64-4" ;
dbo:formula "C6H6ClN" ;
dbo:inchi "InChI=1S/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3" ;
dbo:iupacName "2-Chloro-5-methylpyridine"@en ;
dbo:pubchem "581393"^^xsd:int ;
dbo:smiles "CC1=CN=C(C=C1)Cl" ;
dbp:inchikey "VXLYOURCUVQYLN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl5C1yprdne" ;
skos:prefLabel "2-chloor-5-methyl-pyridine"@nl .
csc:URAYPUMNDPQOKB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5541 ;
dbo:casNumber "102-76-1" ;
dbo:formula "C9H14O6" ;
dbo:inchi "InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3" ;
dbo:iupacName "1,3-diacetyloxypropan-2-yl acetate"@en ;
dbo:pubchem "5541"^^xsd:int ;
dbo:smiles "CC(=O)OCC(COC(=O)C)OC(=O)C" ;
dbp:inchikey "URAYPUMNDPQOKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001135 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycrTactt" ;
skos:prefLabel "glyceroltriacetaat"@nl .
csc:SPNQRCTZKIBOAX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:36565 ;
dbo:casNumber "33629-47-9" , "12676-07-2" ;
dbo:formula "C14H21N3O4" ;
dbo:inchi "InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3" ;
dbo:iupacName "N-butan-2-yl-4-tert-butyl-2,6-dinitroaniline"@en ;
dbo:pubchem "36565"^^xsd:int ;
dbo:smiles "CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]" ;
dbp:inchikey "SPNQRCTZKIBOAX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butln" ;
skos:prefLabel "butralin"@nl .
csc:SIGQAYSWORHPPH-GFXLLRAPSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6440826 ;
dbo:casNumber "123304-10-9" ;
dbo:formula "C52H71N7O13" ;
dbo:inchi "InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16-,29-25+" ;
dbo:iupacName "15-[(4-hydroxyphenyl)methyl]-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6440826"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=C(C=C2)O)C=CC(=CC(C)C(CC3=CC=CC=C3)OC)C" ;
dbp:inchikey "SIGQAYSWORHPPH-GFXLLRAPSA-N" ;
skos:altLabel "microcystine-ly"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC-LY" ;
skos:prefLabel "microcystine-LY"@nl .
csc:LVGUHATVVHIJET-CMDGGOBGSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5354490 ;
dbo:casNumber "3152-68-9" , "18402-88-5" ;
dbo:formula "C11H12O" ;
dbo:inchi "InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+" ;
dbo:iupacName "['(E)-1-phenylpent-1-en-3-one', '1-Phenylpent-1-en-3-one']"@en ;
dbo:pubchem "5354490"^^xsd:int ;
dbo:smiles "CCC(=O)C=CC1=CC=CC=C1" ;
dbp:inchikey "LVGUHATVVHIJET-CMDGGOBGSA-N" ;
skos:broader csc:CHEMONTID_0000037 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Fy1C5e3on" ;
skos:prefLabel "1-fenyl-1-penteen-3-on"@nl .
csc:GYCMBHHDWRMZGG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31368 ;
dbo:casNumber "126-98-7" , "25067-61-2" ;
dbo:formula "C4H5N" ;
dbo:inchi "InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3" ;
dbo:iupacName "2-methylprop-2-enenitrile"@en ;
dbo:pubchem "31368"^^xsd:int ;
dbo:smiles "CC(=C)C#N" ;
dbp:inchikey "GYCMBHHDWRMZGG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yaclntl" ;
skos:prefLabel "methyl-acrylonitril"@nl .
csc:NMFAMPYSJHIYMR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:29696 ;
dbo:casNumber "19622-08-3" , "19622-19-6" ;
dbo:formula "C8H19ClN2OS" ;
dbo:inchi "InChI=1S/C8H18N2OS.ClH/c1-4-12-8(11)9-6-5-7-10(2)3;/h4-7H2,1-3H3,(H,9,11);1H" ;
dbo:iupacName "3-(ethylsulfanylcarbonylamino)propyl-dimethylazanium chloride"@en ;
dbo:pubchem "29696"^^xsd:int ;
dbo:smiles "CCSC(=O)NCCC[NH+](C)C.[Cl-]" ;
dbp:inchikey "NMFAMPYSJHIYMR-UHFFFAOYSA-N" ;
skos:altLabel "prothiocarb hydrochloride"@nl ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protocHCl" , "protocb" ;
skos:prefLabel "prothiocarb"@nl .
csc:UQRLKWGPEVNVHT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12281 ;
dbo:casNumber "626-43-7" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2" ;
dbo:iupacName "3,5-DICHLOROANILINE"@en ;
dbo:pubchem "12281"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)N" ;
dbp:inchikey "UQRLKWGPEVNVHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_626-43-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DClAn" ;
skos:prefLabel "3,5-dichlooraniline"@nl ;
vcs:vmmParameterId "49"^^xsd:int .
csc:RJUFJBKOKNCXHH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11124 ;
dbo:casNumber "554-12-1" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" ;
dbo:iupacName "Methyl propanoate"@en ;
dbo:pubchem "11124"^^xsd:int ;
dbo:smiles "CCC(=O)OC" ;
dbp:inchikey "RJUFJBKOKNCXHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003416 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC3yat" ;
skos:prefLabel "methylpropylaat"@nl .
csc:ZOTBXTZVPHCKPN-HTXNQAPBSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6112114 ;
dbo:casNumber "143390-89-0" ;
dbo:formula "C18H19NO4" ;
dbo:inchi "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" ;
dbo:iupacName "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate"@en ;
dbo:pubchem "6112114"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC" ;
dbp:inchikey "ZOTBXTZVPHCKPN-HTXNQAPBSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "kresOxmC1y" ;
skos:prefLabel "kresoxim-methyl"@nl .
csc:SMKRKQBMYOFFMU-DRXWIORDSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31621 ;
dbo:casNumber "23031-36-9" ;
dbo:formula "C19H24O3" ;
dbo:inchi "InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3/t14-,16?,17+/m0/s1" ;
dbo:iupacName "(2-methyl-4-oxo-3-prop-2-ynyl-1-cyclopent-2-enyl) (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "31621"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C" ;
dbp:inchikey "SMKRKQBMYOFFMU-DRXWIORDSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pralltn" ;
skos:prefLabel "prallethrin"@nl .
csc:QUIMTLZDMCNYGY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11899 ;
dbo:casNumber "611-06-3" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H" ;
dbo:iupacName "2,4-Dichloro-1-nitrobenzene"@en ;
dbo:pubchem "11899"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "QUIMTLZDMCNYGY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_611-06-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClNO2Ben" ;
skos:prefLabel "2,4-dichloornitrobenzeen"@nl ;
vcs:vmmParameterId "773"^^xsd:int .
csc:PDQAZBWRQCGBEV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7300 ;
dbo:casNumber "96-45-7" , "26856-29-1" , "90613-75-5" , "71836-04-9" , "12261-94-8" , "96-46-8" ;
dbo:formula "C3H6N2S" ;
dbo:inchi "InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)" ;
dbo:iupacName "imidazolidine-2-thione"@en ;
dbo:pubchem "7300"^^xsd:int ;
dbo:smiles "C1CN=C(N1)S" ;
dbp:inchikey "PDQAZBWRQCGBEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000250 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yetourum" ;
skos:prefLabel "ethyleenthioureum"@nl .
csc:LLMLGZUZTFMXSA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8620 ;
dbo:casNumber "133-49-3" ;
dbo:formula "C6HCl5S" ;
dbo:inchi "InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H" ;
dbo:iupacName "2,3,4,5,6-pentachlorobenzenethiol"@en ;
dbo:pubchem "8620"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S" ;
dbp:inchikey "LLMLGZUZTFMXSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001850 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClBentol" ;
skos:prefLabel "pentachloorbenzeenthiol"@nl .
csc:LBWPYRZGHYVSEL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19775 ;
dbo:casNumber "3892-00-0" ;
dbo:formula "C18H38" ;
dbo:inchi "InChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3" ;
dbo:iupacName "2,6,10-TRIMETHYLPENTADECANE"@en ;
dbo:pubchem "19775"^^xsd:int ;
dbo:smiles "CCCCCC(C)CCCC(C)CCCC(C)C" ;
dbp:inchikey "LBWPYRZGHYVSEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2610TC1yC15" ;
skos:prefLabel "2,6,10-trimethylpentadecaan"@nl .
csc:BEZZFPOZAYTVHN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40854 ;
dbo:casNumber "53716-50-0" ;
dbo:formula "C15H13N3O3S" ;
dbo:inchi "InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)" ;
dbo:iupacName "methyl N-(6-phenylsulfinyl-1H-benzimidazol-2-yl)carbamate"@en ;
dbo:pubchem "40854"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3" ;
dbp:inchikey "BEZZFPOZAYTVHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxfdzle" ;
skos:prefLabel "oxfendazole"@nl .
csc:QXAITBQSYVNQDR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36324 ;
dbo:casNumber "33089-61-1" ;
dbo:formula "C19H23N3" ;
dbo:inchi "InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3" ;
dbo:iupacName "N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide"@en ;
dbo:pubchem "36324"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C" ;
dbp:inchikey "QXAITBQSYVNQDR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amtz" ;
skos:prefLabel "amitraz"@nl .
csc:UNEATYXSUBPPKP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7450 ;
dbo:casNumber "99-62-7" ;
dbo:formula "C12H18" ;
dbo:inchi "InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3" ;
dbo:iupacName "1,3-di(propan-2-yl)benzene"@en ;
dbo:pubchem "7450"^^xsd:int ;
dbo:smiles "CC(C)C1=CC(=CC=C1)C(C)C" ;
dbp:inchikey "UNEATYXSUBPPKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DiC3yeBen" ;
skos:prefLabel "1,3-di-isopropylbenzeen"@nl .
csc:BKVIYDNLLOSFOA-RNFDNDRNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335611 ;
dbo:casNumber "14913-50-9" ;
dbo:formula "Tl" ;
dbo:inchi "InChI=1S/Tl/i1+4" ;
dbo:iupacName "thallium-208"@en ;
dbo:pubchem "6335611"^^xsd:int ;
dbo:smiles "[Tl]" ;
dbp:inchikey "BKVIYDNLLOSFOA-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tl208" ;
skos:prefLabel "thallium 208"@nl .
csc:IEEJAAUSLQCGJH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37182 ;
dbo:casNumber "35572-78-2" ;
dbo:formula "C7H7N3O4" ;
dbo:inchi "InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3" ;
dbo:iupacName "2-methyl-3,5-dinitroaniline"@en ;
dbo:pubchem "37182"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N" ;
dbp:inchikey "IEEJAAUSLQCGJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao46DNO2Tol" ;
skos:prefLabel "2-amino-4,6-dinitrotolueen"@nl .
csc:DXYYSGDWQCSKKO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8446 ;
dbo:casNumber "120-75-2" ;
dbo:formula "C8H7NS" ;
dbo:inchi "InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3" ;
dbo:iupacName "2-methyl-1,3-benzothiazole"@en ;
dbo:pubchem "8446"^^xsd:int ;
dbo:smiles "CC1=NC2=CC=CC=C2S1" ;
dbp:inchikey "DXYYSGDWQCSKKO-UHFFFAOYSA-N" ;
skos:altLabel "2-methylbenzothiazool"@nl ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ybztazl" ;
skos:prefLabel "methylbenzothiazole"@nl .
csc:AZXHAWRMEPZSSV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:40479 ;
dbo:casNumber "52663-72-6" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40479"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "AZXHAWRMEPZSSV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB 167"@nl , "2,3',4,4',5,5'-hexachloorbifenyl"@nl , "2,3',4,4',5,5'-hexachloorbifenyl (pcb167)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_52663-72-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB167" ;
skos:prefLabel "pcb 167"@nl ;
vcs:vmmParameterId "1374"^^xsd:int .
csc:AWZVYNHQGTZJIH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20678 ;
dbo:casNumber "4549-40-0" ;
dbo:formula "C3H6N2O" ;
dbo:inchi "InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3" ;
dbo:iupacName "N-ethenyl-N-methylnitrous amide"@en ;
dbo:pubchem "20678"^^xsd:int ;
dbo:smiles "CN(C=C)N=O" ;
dbp:inchikey "AWZVYNHQGTZJIH-UHFFFAOYSA-N" ;
skos:altLabel "methyl-N-nitroso-vinylamine"@nl ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yNNO2svnAe" ;
skos:prefLabel "methyl-n-nitroso-vinylamine"@nl .
csc:NQLVQOSNDJXLKG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62020 ;
dbo:casNumber "52888-80-9" ;
dbo:formula "C14H21NOS" ;
dbo:inchi "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" ;
dbo:iupacName "S-(phenylmethyl) (dipropylamino)methanethioate"@en ;
dbo:pubchem "62020"^^xsd:int ;
dbo:smiles "CCCN(CCC)C(=O)SCC1=CC=CC=C1" ;
dbp:inchikey "NQLVQOSNDJXLKG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_52888-80-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prosfcb" ;
skos:prefLabel "prosulfocarb"@nl ;
vcs:vmmParameterId "803"^^xsd:int .
csc:YUVKUEAFAVKILW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91701 ;
dbo:casNumber "121958-44-9" , "69335-91-7" , "93171-48-3" , "86023-37-2" , "87168-00-1" ;
dbo:formula "C15H12F3NO4" ;
dbo:inchi "InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)" ;
dbo:iupacName "2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid"@en ;
dbo:pubchem "91701"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "YUVKUEAFAVKILW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazfp" ;
skos:prefLabel "fluazifop"@nl .
csc:AWZOLILCOUMRDG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:28292 ;
dbo:casNumber "17109-49-8" ;
dbo:formula "C14H15O2PS2" ;
dbo:inchi "InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3" ;
dbo:iupacName "(ethoxy-phenylsulfanylphosphoryl)sulfanylbenzene"@en ;
dbo:pubchem "28292"^^xsd:int ;
dbo:smiles "CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2" ;
dbp:inchikey "AWZOLILCOUMRDG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "edffs" ;
skos:prefLabel "edifenfos"@nl .
csc:PRLVTUNWOQKEAI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:50367 ;
dbo:casNumber "69327-76-0" ;
dbo:formula "C16H23N3OS" ;
dbo:inchi "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" ;
dbo:iupacName "2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one"@en ;
dbo:pubchem "50367"^^xsd:int ;
dbo:smiles "CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2" ;
dbp:inchikey "PRLVTUNWOQKEAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003094 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bupfzn" ;
skos:prefLabel "buprofezin"@nl .
csc:JKQOBWVOAYFWKG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14802 ;
dbo:casNumber "77835-70-2" , "12412-22-5" , "1313-27-5" , "114663-84-2" , "12412-21-4" , "37376-47-9" , "114316-51-7" , "199790-61-9" ;
dbo:formula "MoO3" ;
dbo:inchi "InChI=1S/Mo.3O" ;
dbo:iupacName "trioxomolybdenum"@en ;
dbo:pubchem "14802"^^xsd:int ;
dbo:smiles "O=[Mo](=O)=O" ;
dbp:inchikey "JKQOBWVOAYFWKG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MoTO" ;
skos:prefLabel "molybdeentrioxide"@nl .
csc:PMZNABNRKYMIKT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62235 ;
dbo:casNumber "64969-34-2" ;
dbo:formula "C12H14Cl2N2O8S2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2.2H2O4S/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;2*1-5(2,3)4/h1-6H,15-16H2;2*(H2,1,2,3,4)" ;
dbo:iupacName "4-(4-amino-3-chlorophenyl)-2-chloroaniline; sulfuric acid"@en ;
dbo:pubchem "62235"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.OS(=O)(=O)O.OS(=O)(=O)O" ;
dbp:inchikey "PMZNABNRKYMIKT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DClbzdnSO4" ;
skos:prefLabel "3,3'-dichloorbenzidine sulfaat"@nl .
csc:BHHGXPLMPWCGHP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1001 ;
dbo:casNumber "64-04-0" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2" ;
dbo:iupacName "2-phenylethanamine"@en ;
dbo:pubchem "1001"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCN" ;
dbp:inchikey "BHHGXPLMPWCGHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000186 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyC2yAe" ;
skos:prefLabel "b-fenylethylamine"@nl .
csc:RELMFMZEBKVZJC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6895 ;
dbo:casNumber "87-61-6" , "12002-48-1" ;
dbo:formula "C6H3Cl3" ;
dbo:inchi "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H" ;
dbo:iupacName "1,2,3-Trichlorobenzene"@en ;
dbo:pubchem "6895"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)Cl" ;
dbp:inchikey "RELMFMZEBKVZJC-UHFFFAOYSA-N" ;
skos:altLabel "1,2,3-trichloorbenzeen"@nl , "trichloorbenzeen"@nl ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_12002-48-1 , wise:CAS_87-61-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TClBen" , "TClBen" ;
skos:prefLabel "trichloorbenzenen"@nl ;
vcs:vmmParameterId "522"^^xsd:int , "314"^^xsd:int .
csc:USIUVYZYUHIAEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7583 ;
dbo:casNumber "32576-61-7" , "101-84-8" ;
dbo:formula "C12H10O" ;
dbo:inchi "InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "Phenoxybenzene"@en ;
dbo:pubchem "7583"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OC2=CC=CC=C2" ;
dbp:inchikey "USIUVYZYUHIAEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FyEtr" ;
skos:prefLabel "fenylether"@nl .
csc:LMYRWZFENFIFIT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6269 ;
dbo:casNumber "70-55-3" ;
dbo:formula "C7H9NO2S" ;
dbo:inchi "InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)" ;
dbo:iupacName "4-Methylbenzenesulfonamide"@en ;
dbo:pubchem "6269"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)N" ;
dbp:inchikey "LMYRWZFENFIFIT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pTolsfAd" ;
skos:prefLabel "p-tolueensulfonamide"@nl .
csc:WLWITBHAANNFHV-YNYQYFAYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6441244 ;
dbo:casNumber "134842-07-2" ;
dbo:formula "C48H72N10O12" ;
dbo:inchi "InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36+,37-,39+/m0/s1" ;
dbo:iupacName "(5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6441244"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)NC(=O)CCC(NC1=O)C(=O)O)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C" ;
dbp:inchikey "WLWITBHAANNFHV-YNYQYFAYSA-N" ;
skos:altLabel "7-desmethylmicrocystine-LR"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dmMC-LR" ;
skos:prefLabel "7-desmethylmicrocystine-lr"@nl .
csc:QBWCMBCROVPCKQ-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:197148 ;
dbo:casNumber "56310-06-6" , "74296-11-0" , "72061-90-6" , "1318-59-8" , "77546-18-0" , "77546-17-9" , "24518-47-6" , "69049-77-0" , "70134-37-1" , "155808-17-6" , "14998-27-7" , "93085-22-4" , "10049-04-4" , "1333-81-9" ;
dbo:formula "ClO2-" ;
dbo:inchi "InChI=1S/ClHO2/c2-1-3/h(H,2,3)/p-1" ;
dbo:iupacName "Chlorite"@en ;
dbo:pubchem "197148"^^xsd:int ;
dbo:smiles "[O-]Cl=O" ;
dbp:inchikey "QBWCMBCROVPCKQ-UHFFFAOYSA-M" ;
skos:altLabel "chloriet"@nl ;
skos:broader csc:CHEMONTID_0001050 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClO2" , "ClDO" ;
skos:prefLabel "chloordioxide"@nl .
csc:XXIDKSWYSYEFAG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:80518 ;
dbo:casNumber "6294-34-4" , "21343-86-2" ;
dbo:formula "C6H12Cl3O3P" ;
dbo:inchi "InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2" ;
dbo:iupacName "1-chloro-2-(2-chloroethoxy-(2-chloroethyl)phosphoryl)oxyethane"@en ;
dbo:pubchem "80518"^^xsd:int ;
dbo:smiles "C(CCl)OP(=O)(CCCl)OCCCl" ;
dbp:inchikey "XXIDKSWYSYEFAG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004482 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "b2ClC2y2ClC2" ;
skos:prefLabel "bis(2-chloorethyl)2-chloorethylfosfonaat"@nl .
csc:KUPLEGDPSCCPJI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20149 ;
dbo:casNumber "4181-95-7" ;
dbo:formula "C40H82" ;
dbo:inchi "InChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3" ;
dbo:iupacName "TETRACONTANE"@en ;
dbo:pubchem "20149"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "KUPLEGDPSCCPJI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C40a" ;
skos:prefLabel "tetracontaan"@nl .
csc:RTHCYVBBDHJXIQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3386 ;
dbo:casNumber "57226-07-0" , "54910-89-3" , "52341-67-0" ;
dbo:formula "C17H18F3NO" ;
dbo:inchi "InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3" ;
dbo:iupacName "N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine"@en ;
dbo:pubchem "3386"^^xsd:int ;
dbo:smiles "CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "RTHCYVBBDHJXIQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:exactMatch wise:CAS_54910-89-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluoxtne" ;
skos:prefLabel "fluoxetine"@nl ;
vcs:vmmParameterId "1399"^^xsd:int .
csc:FRCHKSNAZZFGCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15586 ;
dbo:casNumber "1717-00-6" ;
dbo:formula "C2H3Cl2F" ;
dbo:inchi "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" ;
dbo:iupacName "1,1-DICHLORO-1-FLUOROETHANE"@en ;
dbo:pubchem "15586"^^xsd:int ;
dbo:smiles "CC(F)(Cl)Cl" ;
dbp:inchikey "FRCHKSNAZZFGCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK141b" ;
skos:prefLabel "1,1-dichloor-1-fluorethaan"@nl .
csc:HCWPIIXVSYCSAN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328144 ;
dbo:casNumber "13982-63-3" , "7440-14-4" ;
dbo:formula "Ra" ;
dbo:inchi "InChI=1S/Ra" ;
dbo:iupacName "RADIUM"@en ;
dbo:pubchem "6328144"^^xsd:int ;
dbo:smiles "[Ra]" ;
dbp:inchikey "HCWPIIXVSYCSAN-UHFFFAOYSA-N" ;
skos:altLabel "radium"@nl ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ra" , "Ra226" ;
skos:prefLabel "radium 226"@nl .
csc:YIIMEMSDCNDGTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6598 ;
dbo:casNumber "79-44-7" , "342009-25-0" ;
dbo:formula "C3H6ClNO" ;
dbo:inchi "InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3" ;
dbo:iupacName "N,N-Dimethylcarbamoyl chloride"@en ;
dbo:pubchem "6598"^^xsd:int ;
dbo:smiles "CN(C)C(=O)Cl" ;
dbp:inchikey "YIIMEMSDCNDGTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001192 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1ycbmyCl" ;
skos:prefLabel "dimethylcarbamoyl chloride"@nl .
csc:YSEMCVGMNUUNRK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9708 ;
dbo:casNumber "367-21-5" ;
dbo:formula "C6H5ClFN" ;
dbo:inchi "InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2" ;
dbo:iupacName "3-CHLORO-4-FLUOROANILINE"@en ;
dbo:pubchem "9708"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)Cl)F" ;
dbp:inchikey "YSEMCVGMNUUNRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClFAn" ;
skos:prefLabel "chloorfluoraniline"@nl .
csc:OVSKIKFHRZPJSS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:1486 ;
dbo:casNumber "15183-39-8" , "94-75-7" ;
dbo:formula "C8H6Cl2O3" ;
dbo:inchi "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" ;
dbo:iupacName "2-(2,4-dichlorophenoxy)acetic acid"@en ;
dbo:pubchem "1486"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" ;
dbp:inchikey "OVSKIKFHRZPJSS-UHFFFAOYSA-N" ;
skos:altLabel "2,4-dichloorfenoxyazijnzuur"@nl , "(2,4-dichloorfenoxy)-azijnzuur (2,4-d)"@nl ;
skos:broader csc:CHEMONTID_0004525 ;
skos:exactMatch wise:CAS_94-75-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24D" ;
skos:prefLabel "(2,4-dichloorfenoxy)azijnzuur (2,4-d)"@nl ;
vcs:vmmParameterId "230"^^xsd:int .
csc:YNEVBPNZHBAYOA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9414 ;
dbo:casNumber "315-18-4" ;
dbo:formula "C12H18N2O2" ;
dbo:inchi "InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)" ;
dbo:iupacName "(4-dimethylamino-3,5-dimethylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "9414"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC" ;
dbp:inchikey "YNEVBPNZHBAYOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mexcbt" ;
skos:prefLabel "mexacarbaat"@nl .
csc:ALVYVCQIFHTIRD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3016044 ;
dbo:casNumber "39108-34-4" ;
dbo:formula "C10H5F17O3S" ;
dbo:inchi "InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)" ;
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid"@en ;
dbo:pubchem "3016044"^^xsd:int ;
dbo:smiles "C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "ALVYVCQIFHTIRD-UHFFFAOYSA-N" ;
skos:altLabel "8:2 fluortelomeersulfonzuur (8:2 fts)"@nl , "8:2 fluortelomeersulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0001179 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "8:2 FTS" , "H-PFC10asfzr" ;
skos:prefLabel "2-(perfluoroctyl)ethaan-1-sulfonzuur (8:2 FTS)"@nl .
csc:QDNMBJXNLJFNHT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5507 ;
dbo:casNumber "13710-19-5" ;
dbo:formula "C14H12ClNO2" ;
dbo:inchi "InChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)" ;
dbo:iupacName "2-[(4-chloro-3-methylphenyl)amino]benzoic acid"@en ;
dbo:pubchem "5507"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)NC2=CC=CC=C2C(=O)O)Cl" ;
dbp:inchikey "QDNMBJXNLJFNHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002948 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tolfAezr" ;
skos:prefLabel "tolfenaminezuur"@nl .
csc:HNJBEVLQSNELDL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12025 ;
dbo:casNumber "22580-55-8" , "616-45-5" ;
dbo:formula "C4H7NO" ;
dbo:inchi "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" ;
dbo:iupacName "pyrrolidin-2-one"@en ;
dbo:pubchem "12025"^^xsd:int ;
dbo:smiles "C1CC(=O)NC1" ;
dbp:inchikey "HNJBEVLQSNELDL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2prldn" ;
skos:prefLabel "2-pyrrolidon"@nl .
csc:OBNCKNCVKJNDBV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7762 ;
dbo:casNumber "105-54-4" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" ;
dbo:iupacName "Ethyl butanoate"@en ;
dbo:pubchem "7762"^^xsd:int ;
dbo:smiles "CCCC(=O)OCC" ;
dbp:inchikey "OBNCKNCVKJNDBV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2ybtrt" ;
skos:prefLabel "ethylbutyraat"@nl .
csc:ZFSLODLOARCGLH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7956 ;
dbo:casNumber "27941-25-9" , "40580-20-9" , "27026-93-3" , "108-80-5" , "504-19-8" , "134016-52-7" ;
dbo:formula "C3H3N3O3" ;
dbo:inchi "InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)" ;
dbo:iupacName "1,3,5-triazinane-2,4,6-trione"@en ;
dbo:pubchem "7956"^^xsd:int ;
dbo:smiles "C1(=O)NC(=O)NC(=O)N1" ;
dbp:inchikey "ZFSLODLOARCGLH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004105 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CNuzr" ;
skos:prefLabel "cyanuurzuur"@nl .
csc:MVPPADPHJFYWMZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7964 ;
dbo:casNumber "68411-45-0" , "108-90-7" , "50717-45-8" ;
dbo:formula "C6H5Cl" ;
dbo:inchi "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "Chlorobenzene"@en ;
dbo:pubchem "7964"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)Cl" ;
dbp:inchikey "MVPPADPHJFYWMZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_001 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_108-90-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClBen" ;
skos:prefLabel "chloorbenzeen"@nl ;
vcs:vmmParameterId "373"^^xsd:int .
csc:JZHDEEOTEUVLHR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15243 ;
dbo:casNumber "1546-95-8" ;
dbo:formula "C7H2F12O2" ;
dbo:inchi "InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid"@en ;
dbo:pubchem "15243"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "JZHDEEOTEUVLHR-UHFFFAOYSA-N" ;
skos:altLabel "7h-perfluorheptaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HPFHpA" ;
skos:prefLabel "7H-perfluorheptaanzuur"@nl .
csc:AYJXHIDNNLJQDT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:62374 ;
dbo:casNumber "1125-21-9" ;
dbo:formula "C9H12O2" ;
dbo:inchi "InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3" ;
dbo:iupacName "2,6,6-Trimethylcyclohex-2-ene-1,4-dione"@en ;
dbo:pubchem "62374"^^xsd:int ;
dbo:smiles "CC1=CC(=O)CC(C1=O)(C)C" ;
dbp:inchikey "AYJXHIDNNLJQDT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004325 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Ooifrn" ;
skos:prefLabel "4-oxoisoforon"@nl .
csc:JFSPBVWPKOEZCB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:90590 ;
dbo:casNumber "68445-15-8" , "24691-80-3" ;
dbo:formula "C12H11NO2" ;
dbo:inchi "InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)" ;
dbo:iupacName "2-methyl-N-phenylfuran-3-carboxamide"@en ;
dbo:pubchem "90590"^^xsd:int ;
dbo:smiles "CC1=C(C=CO1)C(=O)NC2=CC=CC=C2" ;
dbp:inchikey "JFSPBVWPKOEZCB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenfrm" ;
skos:prefLabel "fenfuram"@nl .
csc:OUCCVXVYGFBXSV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13721 ;
dbo:casNumber "953-17-3" ;
dbo:formula "C9H12ClO2PS3" ;
dbo:inchi "InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3" ;
dbo:iupacName "(4-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "13721"^^xsd:int ;
dbo:smiles "COP(=S)(OC)SCSC1=CC=C(C=C1)Cl" ;
dbp:inchikey "OUCCVXVYGFBXSV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbfntoC1y" ;
skos:prefLabel "carbofenothion-methyl"@nl .
csc:CTPKSRZFJSJGML-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7215 ;
dbo:casNumber "95-05-6" ;
dbo:formula "C10H20N2S3" ;
dbo:inchi "InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3" ;
dbo:iupacName "diethylcarbamothioyl diethylaminomethanedithioate"@en ;
dbo:pubchem "7215"^^xsd:int ;
dbo:smiles "CCN(CC)C(=S)SC(=S)N(CC)CC" ;
dbp:inchikey "CTPKSRZFJSJGML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003260 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "monsfrm" ;
skos:prefLabel "monosulfiram"@nl .
csc:NMPOSNRHZIWLLL-SSHXOBKSSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65034 ;
dbo:casNumber "529-38-4" ;
dbo:formula "C18H23NO4" ;
dbo:inchi "InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13?,14?,15-,16+/m0/s1" ;
dbo:iupacName "ethyl (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate"@en ;
dbo:pubchem "65034"^^xsd:int ;
dbo:smiles "CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3" ;
dbp:inchikey "NMPOSNRHZIWLLL-SSHXOBKSSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cocC2ye" ;
skos:prefLabel "cocaethyleen"@nl .
csc:OHSVLFRHMCKCQY-YPZZEJLDSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:177429 ;
dbo:casNumber "14391-24-3" ;
dbo:formula "Lu" ;
dbo:inchi "InChI=1S/Lu/i1-2" ;
dbo:iupacName "lutetium-173"@en ;
dbo:pubchem "177429"^^xsd:int ;
dbo:smiles "[Lu]" ;
dbp:inchikey "OHSVLFRHMCKCQY-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Lu173" ;
skos:prefLabel "lutetium 173"@nl .
csc:QQINRWTZWGJFDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23965 ;
dbo:casNumber "7440-34-8" ;
dbo:formula "Ac" ;
dbo:inchi "InChI=1S/Ac" ;
dbo:iupacName "ACTINIUM"@en ;
dbo:pubchem "23965"^^xsd:int ;
dbo:smiles "[Ac]" ;
dbp:inchikey "QQINRWTZWGJFDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ac" ;
skos:prefLabel "actinium"@nl .
csc:NHOWDZOIZKMVAI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43226 ;
dbo:casNumber "60168-88-9" , "162707-16-6" ;
dbo:formula "C17H12Cl2N2O" ;
dbo:inchi "InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H" ;
dbo:iupacName "(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol"@en ;
dbo:pubchem "43226"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl" ;
dbp:inchikey "NHOWDZOIZKMVAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenarml" ;
skos:prefLabel "fenarimol"@nl .
csc:OBLNWSCLAYSJJR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17748 ;
dbo:casNumber "2797-51-5" ;
dbo:formula "C10H6ClNO2" ;
dbo:inchi "InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" ;
dbo:iupacName "2-amino-3-chloronaphthalene-1,4-dione"@en ;
dbo:pubchem "17748"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N" ;
dbp:inchikey "OBLNWSCLAYSJJR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000153 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quincmn" ;
skos:prefLabel "quinoclamin"@nl .
csc:IKVXBIIHQGXQRQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:40520 ;
dbo:casNumber "52756-22-6" ;
dbo:formula "C19H19ClFNO3" ;
dbo:inchi "InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3" ;
dbo:iupacName "propan-2-yl 2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate"@en ;
dbo:pubchem "40520"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "IKVXBIIHQGXQRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yfpp" ;
skos:prefLabel "iso-propylflamprop"@nl .
csc:PPQNQXQZIWHJRB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1674 ;
dbo:casNumber "345299-31-2" , "56-49-5" ;
dbo:formula "C21H16" ;
dbo:inchi "InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3" ;
dbo:iupacName "3-methyl-1,2-dihydrobenzo[j]aceanthrylene"@en ;
dbo:pubchem "1674"^^xsd:int ;
dbo:smiles "CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1" ;
dbp:inchikey "PPQNQXQZIWHJRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1ycltn" ;
skos:prefLabel "3-methylcholantreen"@nl .
csc:WHZXTVOEGZRRJM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:71404795 ;
dbo:casNumber "70887-84-2" ;
dbo:formula "C10H2F16O2" ;
dbo:inchi "InChI=1S/C10H2F16O2/c11-2(1-3(27)28)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H,(H,27,28)" ;
dbo:iupacName "3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-enoic acid"@en ;
dbo:pubchem "71404795"^^xsd:int ;
dbo:smiles "C(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)C(=O)O" ;
dbp:inchikey "WHZXTVOEGZRRJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "8:2 FTUCA" ;
skos:prefLabel "8:2 fluortelomeer onverzadigd carboxylzuur"@nl .
csc:RQDJADAKIFFEKQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86138 ;
dbo:casNumber "119611-00-6" , "114369-43-6" ;
dbo:formula "C19H17ClN4" ;
dbo:inchi "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" ;
dbo:iupacName "4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile"@en ;
dbo:pubchem "86138"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N" ;
dbp:inchikey "RQDJADAKIFFEKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbcnzl" ;
skos:prefLabel "fenbuconazool"@nl .
csc:WNTGYJSOUMFZEP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7153 ;
dbo:casNumber "93-65-2" , "7085-19-0" ;
dbo:formula "C10H11ClO3" ;
dbo:inchi "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)" ;
dbo:iupacName "2-(4-Chloro-2-methylphenoxy)propanoic acid"@en ;
dbo:pubchem "7153"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O" ;
dbp:inchikey "WNTGYJSOUMFZEP-UHFFFAOYSA-N" ;
skos:altLabel "mecoprop (mcpp)"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:exactMatch wise:CAS_7085-19-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCPP" ;
skos:prefLabel "mecoprop"@nl ;
vcs:vmmParameterId "253"^^xsd:int .
csc:QMMFVYPAHWMCMS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1068 ;
dbo:casNumber "31533-72-9" , "75-18-3" ;
dbo:formula "C2H6S" ;
dbo:inchi "InChI=1S/C2H6S/c1-3-2/h1-2H3" ;
dbo:iupacName "methylsulfanylmethane"@en ;
dbo:pubchem "1068"^^xsd:int ;
dbo:smiles "CSC" ;
dbp:inchikey "QMMFVYPAHWMCMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003862 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yS" ;
skos:prefLabel "dimethylsulfide"@nl .
csc:UMPSXRYVXUPCOS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11334 ;
dbo:casNumber "25167-81-1" , "576-24-9" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H" ;
dbo:iupacName "2,3-Dichlorophenol"@en ;
dbo:pubchem "11334"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)O" ;
dbp:inchikey "UMPSXRYVXUPCOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClFol" ;
skos:prefLabel "2,3-dichloorfenol"@nl .
csc:AYXYPKUFHZROOJ-ZETCQYMHSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5486971 ;
dbo:casNumber "148553-50-8" ;
dbo:formula "C8H17NO2" ;
dbo:inchi "InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1" ;
dbo:iupacName "(3S)-3-(aminomethyl)-5-methylhexanoic acid"@en ;
dbo:pubchem "5486971"^^xsd:int ;
dbo:smiles "CC(C)CC(CC(=O)O)CN" ;
dbp:inchikey "AYXYPKUFHZROOJ-ZETCQYMHSA-N" ;
skos:broader csc:CHEMONTID_0001880 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pregbln" ;
skos:prefLabel "pregabalin"@nl .
csc:GPTVQTPMFOLLOA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12341 ;
dbo:casNumber "628-34-2" ;
dbo:formula "C4H9ClO" ;
dbo:inchi "InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3" ;
dbo:iupacName "1-CHLORO-2-ETHOXYETHANE"@en ;
dbo:pubchem "12341"^^xsd:int ;
dbo:smiles "CCOCCCl" ;
dbp:inchikey "GPTVQTPMFOLLOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClEyEtr" ;
skos:prefLabel "2-chloorethylether"@nl .
csc:FSCWZHGZWWDELK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:39676 ;
dbo:casNumber "50471-44-8" ;
dbo:formula "C12H9Cl2NO3" ;
dbo:inchi "InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3" ;
dbo:iupacName "3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione"@en ;
dbo:pubchem "39676"^^xsd:int ;
dbo:smiles "CC1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C=C" ;
dbp:inchikey "FSCWZHGZWWDELK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vinczln" ;
skos:prefLabel "vinclozolin"@nl .
csc:CYEKUDPFXBLGHH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11450 ;
dbo:casNumber "585-34-2" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3" ;
dbo:iupacName "3-tert-Butylphenol"@en ;
dbo:pubchem "11450"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=CC=C1)O" ;
dbp:inchikey "CYEKUDPFXBLGHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ttC4yFol" ;
skos:prefLabel "3-tertiair-butylfenol"@nl .
csc:ZHLKXBJTJHRTTE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7639 ;
dbo:casNumber "103-17-3" ;
dbo:formula "C13H10Cl2S" ;
dbo:inchi "InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2" ;
dbo:iupacName "1-chloro-4-[(4-chlorophenyl)sulfanylmethyl]benzene"@en ;
dbo:pubchem "7639"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "ZHLKXBJTJHRTTE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clbsde" ;
skos:prefLabel "chloorbenside"@nl .
csc:IVUXTESCPZUGJC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16115 ;
dbo:casNumber "1982-47-4" ;
dbo:formula "C15H15ClN2O2" ;
dbo:inchi "InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)" ;
dbo:iupacName "3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea"@en ;
dbo:pubchem "16115"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl" ;
dbp:inchikey "IVUXTESCPZUGJC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cloxrn" ;
skos:prefLabel "chlooroxuron"@nl .
csc:HRQQEXIVBZHHOQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:168503 ;
dbo:casNumber "26264-02-8" ;
dbo:formula "C25H44O6" ;
dbo:inchi "InChI=1S/C25H44O6/c1-2-3-4-5-6-7-8-11-24-12-9-10-13-25(24)31-23-22-30-21-20-29-19-18-28-17-16-27-15-14-26/h9-10,12-13,26H,2-8,11,14-23H2,1H3" ;
dbo:iupacName "2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol"@en ;
dbo:pubchem "168503"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCO" ;
dbp:inchikey "HRQQEXIVBZHHOQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO5" ;
skos:prefLabel "nonylfenolpentaethoxylaat"@nl .
csc:XMJHPCRAQCTCFT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6586 ;
dbo:casNumber "79-22-1" ;
dbo:formula "C2H3ClO2" ;
dbo:inchi "InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3" ;
dbo:iupacName "METHYL CHLOROFORMATE"@en ;
dbo:pubchem "6586"^^xsd:int ;
dbo:smiles "COC(=O)Cl" ;
dbp:inchikey "XMJHPCRAQCTCFT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000364 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yClcbnt" ;
skos:prefLabel "methyl chloorcarbonaat"@nl .
csc:INISTDXBRIBGOC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:50516 ;
dbo:casNumber "69409-94-5" , "79472-91-6" ;
dbo:formula "C26H22ClF3N2O3" ;
dbo:inchi "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoate"@en ;
dbo:pubchem "50516"^^xsd:int ;
dbo:smiles "CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" ;
dbp:inchikey "INISTDXBRIBGOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flualnt" ;
skos:prefLabel "fluvalinaat"@nl .
csc:ZHNUHDYFZUAESO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:713 ;
dbo:casNumber "23296-41-5" , "75-12-7" ;
dbo:formula "CH3NO" ;
dbo:inchi "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" ;
dbo:iupacName "FORMAMIDE"@en ;
dbo:pubchem "713"^^xsd:int ;
dbo:smiles "C(=O)N" ;
dbp:inchikey "ZHNUHDYFZUAESO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002484 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "formAd" ;
skos:prefLabel "formamide"@nl .
csc:DCUJJWWUNKIJPH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16004 ;
dbo:casNumber "1929-82-4" ;
dbo:formula "C6H3Cl4N" ;
dbo:inchi "InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H" ;
dbo:iupacName "2-Chloro-6-(trichloromethyl)pyridine"@en ;
dbo:pubchem "16004"^^xsd:int ;
dbo:smiles "C1=CC(=NC(=C1)Cl)C(Cl)(Cl)Cl" ;
dbp:inchikey "DCUJJWWUNKIJPH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6TClC1ypr" ;
skos:prefLabel "2-chloor-6-(trichloormethyl)pyridine"@nl .
csc:IOXAXYHXMLCCJJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86443 ;
dbo:casNumber "144651-06-9" ;
dbo:formula "C17H18N4O6S" ;
dbo:inchi "InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)" ;
dbo:iupacName "oxetan-3-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate"@en ;
dbo:pubchem "86443"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3COC3)C" ;
dbp:inchikey "IOXAXYHXMLCCJJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oasfrn" ;
skos:prefLabel "oxasulfuron"@nl .
csc:DERZBLKQOCDDDZ-JLHYYAGUSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1547484 ;
dbo:casNumber "16699-20-0" , "298-57-7" ;
dbo:formula "C26H28N2" ;
dbo:inchi "InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+" ;
dbo:iupacName "['1-[di(phenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine', '1-[di(phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine']"@en ;
dbo:pubchem "1547484"^^xsd:int ;
dbo:smiles "C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4" ;
dbp:inchikey "DERZBLKQOCDDDZ-JLHYYAGUSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cinnarizine"@nl .
csc:BUYMVQAILCEWRR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4420 ;
dbo:casNumber "300-76-5" , "53095-31-1" ;
dbo:formula "C4H7Br2Cl2O4P" ;
dbo:inchi "InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3" ;
dbo:iupacName "(1,2-dibromo-2,2-dichloroethyl) dimethyl phosphate"@en ;
dbo:pubchem "4420"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC(C(Cl)(Cl)Br)Br" ;
dbp:inchikey "BUYMVQAILCEWRR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nald" ;
skos:prefLabel "naled"@nl .
csc:FLTJDUOFAQWHDF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11551 ;
dbo:casNumber "590-73-8" , "29222-48-8" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3" ;
dbo:iupacName "2,2-DIMETHYLHEXANE"@en ;
dbo:pubchem "11551"^^xsd:int ;
dbo:smiles "CCCCC(C)(C)C" ;
dbp:inchikey "FLTJDUOFAQWHDF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DC1yC6a" ;
skos:prefLabel "2,2-dimethylhexaan"@nl .
csc:GKLVYJBZJHMRIY-BJUDXGSMSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:161147 ;
dbo:casNumber "15759-35-0" ;
dbo:formula "Tc" ;
dbo:inchi "InChI=1S/Tc/i1-1" ;
dbo:iupacName "technetium-97"@en ;
dbo:pubchem "161147"^^xsd:int ;
dbo:smiles "[Tc]" ;
dbp:inchikey "GKLVYJBZJHMRIY-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tc97" ;
skos:prefLabel "technetium 97"@nl .
csc:LOOAGTDYKNUDBZ-UXBLZVDNSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6107844 ;
dbo:casNumber "13104-21-7" ;
dbo:formula "C10H10BrCl2O4P" ;
dbo:inchi "InChI=1S/C10H10BrCl2O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/b10-6+" ;
dbo:iupacName "[(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate"@en ;
dbo:pubchem "6107844"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC(=CBr)C1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "LOOAGTDYKNUDBZ-UXBLZVDNSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrfvfsC1y" ;
skos:prefLabel "broomfenvinfos-methyl"@nl .
csc:VEZXCJBBBCKRPI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2365 ;
dbo:casNumber "57-57-8" ;
dbo:formula "C3H4O2" ;
dbo:inchi "InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2" ;
dbo:iupacName "oxetan-2-one"@en ;
dbo:pubchem "2365"^^xsd:int ;
dbo:smiles "C1COC1=O" ;
dbp:inchikey "VEZXCJBBBCKRPI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001243 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bppoltn" ;
skos:prefLabel "beta-propiolacton"@nl .
csc:MGNFYQILYYYUBS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91694 ;
dbo:casNumber "67306-00-7" ;
dbo:formula "C19H31N" ;
dbo:inchi "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" ;
dbo:iupacName "1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine"@en ;
dbo:pubchem "91694"^^xsd:int ;
dbo:smiles "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" ;
dbp:inchikey "MGNFYQILYYYUBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenppdn" ;
skos:prefLabel "fenpropidin"@nl .
csc:YXWCBRDRVXHABN-JCMHNJIXSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6033664 ;
dbo:casNumber "69770-45-2" ;
dbo:formula "C28H22Cl2FNO3" ;
dbo:inchi "InChI=1S/C28H22Cl2FNO3/c1-28(2)21(15-22(30)17-8-11-19(29)12-9-17)26(28)27(33)35-25(16-32)18-10-13-23(31)24(14-18)34-20-6-4-3-5-7-20/h3-15,21,25-26H,1-2H3/b22-15-" ;
dbo:iupacName "['[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate']"@en ;
dbo:pubchem "6033664"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(C4=CC=C(C=C4)Cl)Cl)C" ;
dbp:inchikey "YXWCBRDRVXHABN-JCMHNJIXSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flumtn" ;
skos:prefLabel "flumethrin"@nl .
csc:VXSNJXDZTGFDMB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36325 ;
dbo:casNumber "51550-40-4" , "33089-74-6" ;
dbo:formula "C10H15ClN2" ;
dbo:inchi "InChI=1S/C10H14N2.ClH/c1-8-4-5-10(9(2)6-8)12-7-11-3;/h4-7H,1-3H3,(H,11,12);1H" ;
dbo:iupacName "N-(2,4-dimethylphenyl)-N'-methylmethanimidamide hydrochloride"@en ;
dbo:pubchem "36325"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)[NH2+]C=NC)C.[Cl-]" ;
dbp:inchikey "VXSNJXDZTGFDMB-UHFFFAOYSA-N" ;
skos:altLabel "n'-(2,4-dimethylfenyl)-n-methylformamidine"@nl ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N24DC1yFyNC1" ;
skos:prefLabel "N'-(2,4-dimethylfenyl)-N-methylformamidine"@nl .
csc:JFPVXVDWJQMJEE-SWWZKJRFSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5361202 ;
dbo:casNumber "55268-75-2" ;
dbo:formula "C16H16N4O8S" ;
dbo:inchi "InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1" ;
dbo:iupacName "['(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2E)-2-furan-2-yl-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid', '(6R,7R)-3-(carbamoyloxymethyl)-7-[(2-furan-2-yl-2-methoxyiminoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid']"@en ;
dbo:pubchem "5361202"^^xsd:int ;
dbo:smiles "CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O" ;
dbp:inchikey "JFPVXVDWJQMJEE-SWWZKJRFSA-N" ;
skos:broader csc:CHEMONTID_0004410 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefrxm" ;
skos:prefLabel "cefuroxim"@nl .
csc:FIAXCDIQXHJNIX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6800 ;
dbo:casNumber "85-22-3" ;
dbo:formula "C8H5Br5" ;
dbo:inchi "InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-ethylbenzene"@en ;
dbo:pubchem "6800"^^xsd:int ;
dbo:smiles "CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br" ;
dbp:inchikey "FIAXCDIQXHJNIX-UHFFFAOYSA-N" ;
skos:altLabel "pentabroomethylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0001098 ;
skos:exactMatch wise:CAS_85-22-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2345PeBrC2y" ;
skos:prefLabel "2,3,4,5,6-pentabroomethylbenzeen"@nl ;
vcs:vmmParameterId "999"^^xsd:int .
csc:UIKROCXWUNQSPJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:408 ;
dbo:casNumber "486-56-6" ;
dbo:formula "C10H12N2O" ;
dbo:inchi "InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3" ;
dbo:iupacName "1-methyl-5-pyridin-3-ylpyrrolidin-2-one"@en ;
dbo:pubchem "408"^^xsd:int ;
dbo:smiles "CN1C(CCC1=O)C2=CN=CC=C2" ;
dbp:inchikey "UIKROCXWUNQSPJ-UHFFFAOYSA-N" ;
skos:altLabel "(5s)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon"@nl ;
skos:broader csc:CHEMONTID_0001975 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5S1C1y53prdn" ;
skos:prefLabel "(5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon"@nl .
csc:NOCJXYPHIIZEHN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:56206 ;
dbo:casNumber "98106-17-3" ;
dbo:formula "C21H19F2N3O3" ;
dbo:inchi "InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)" ;
dbo:iupacName "6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid"@en ;
dbo:pubchem "56206"^^xsd:int ;
dbo:smiles "CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F" ;
dbp:inchikey "NOCJXYPHIIZEHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002348 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "difloxacine"@nl .
csc:OIZXRZCQJDXPFO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:69968 ;
dbo:casNumber "72269-30-8" , "822-23-1" ;
dbo:formula "C20H40O2" ;
dbo:inchi "InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3" ;
dbo:iupacName "Octadecyl acetate"@en ;
dbo:pubchem "69968"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCOC(=O)C" ;
dbp:inchikey "OIZXRZCQJDXPFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001722 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18yactt" ;
skos:prefLabel "octadecylacetaat"@nl .
csc:JFALSRSLKYAFGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23989 ;
dbo:casNumber "22541-40-8" , "7440-61-1" , "24678-82-8" , "16089-60-4" , "13598-56-6" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U" ;
dbo:iupacName "URANIUM"@en ;
dbo:pubchem "23989"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "JFALSRSLKYAFGM-UHFFFAOYSA-N" ;
skos:altLabel "uranium 238"@nl , "uranium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000430 ;
skos:exactMatch wise:CAS_7440-61-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U" , "U238" ;
skos:prefLabel "uranium"@nl ;
vcs:vmmParameterId "525"^^xsd:int , "524"^^xsd:int , "1978"^^xsd:int , "523"^^xsd:int .
csc:REJHVSOVQBJEBF-OWOJBTEDSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5284378 ;
dbo:casNumber "65941-98-2" , "81-11-8" ;
dbo:formula "C14H14N2O6S2" ;
dbo:inchi "InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b2-1+" ;
dbo:iupacName "['5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid', '5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid']"@en ;
dbo:pubchem "5284378"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O" ;
dbp:inchikey "REJHVSOVQBJEBF-OWOJBTEDSA-N" ;
skos:broader csc:CHEMONTID_0004785 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DAosb22Dsf" ;
skos:prefLabel "4,4'-diaminostilbeen-2,2'-disulfonzuur"@nl .
csc:DOIRQSBPFJWKBE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3026 ;
dbo:casNumber "84-74-2" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" ;
dbo:iupacName "dibutyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "3026"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC" ;
dbp:inchikey "DOIRQSBPFJWKBE-UHFFFAOYSA-N" ;
skos:altLabel "dibutylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_84-74-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4yFt" ;
skos:prefLabel "di-n-butylftalaat"@nl ;
vcs:vmmParameterId "61"^^xsd:int .
csc:BPRHUIZQVSMCRT-YXWZHEERSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6439133 ;
dbo:casNumber "287714-41-4" ;
dbo:formula "C22H28FN3O6S" ;
dbo:inchi "InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17+/m0/s1" ;
dbo:iupacName "(E,3R,5R)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid"@en ;
dbo:pubchem "6439133"^^xsd:int ;
dbo:smiles "CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C" ;
dbp:inchikey "BPRHUIZQVSMCRT-YXWZHEERSA-N" ;
skos:broader csc:CHEMONTID_0002308 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rosvstne" ;
skos:prefLabel "rosuvastatine"@nl .
csc:MTBZIGHNGSTDJV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21207 ;
dbo:casNumber "5131-24-8" ;
dbo:formula "C12H14NO4PS" ;
dbo:inchi "InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "2-diethoxyphosphinothioylisoindole-1,3-dione"@en ;
dbo:pubchem "21207"^^xsd:int ;
dbo:smiles "CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC" ;
dbp:inchikey "MTBZIGHNGSTDJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dtlfs" ;
skos:prefLabel "ditalimfos"@nl .
csc:GYVGXEWAOAAJEU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7471 ;
dbo:casNumber "99-97-8" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3" ;
dbo:iupacName "N,N,4-Trimethylaniline"@en ;
dbo:pubchem "7471"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)N(C)C" ;
dbp:inchikey "GYVGXEWAOAAJEU-UHFFFAOYSA-N" ;
skos:altLabel "n,n,4-trimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NN4TC1yAn" ;
skos:prefLabel "N,N,4-trimethylaniline"@nl .
csc:VAOCPAMSLUNLGC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4173 ;
dbo:casNumber "99616-64-5" , "443-48-1" ;
dbo:formula "C6H9N3O3" ;
dbo:inchi "InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3" ;
dbo:iupacName "2-(2-methyl-5-nitroimidazol-1-yl)ethanol"@en ;
dbo:pubchem "4173"^^xsd:int ;
dbo:smiles "CC1=NC=C(N1CCO)[N+](=O)[O-]" ;
dbp:inchikey "VAOCPAMSLUNLGC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000242 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metndzl" ;
skos:prefLabel "metronidazol"@nl .
csc:OSAYFGJUEOYRHY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66631 ;
dbo:casNumber "89-21-4" ;
dbo:formula "C7H6ClNO3" ;
dbo:inchi "InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3" ;
dbo:iupacName "4-chloro-1-methoxy-2-nitrobenzene"@en ;
dbo:pubchem "66631"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "OSAYFGJUEOYRHY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2NO2ansl" ;
skos:prefLabel "4-chloor-2-nitroanisool"@nl .
csc:MNOJRWOWILAHAV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11563 ;
dbo:casNumber "591-20-8" ;
dbo:formula "C6H5BrO" ;
dbo:inchi "InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H" ;
dbo:iupacName "3-BROMOPHENOL"@en ;
dbo:pubchem "11563"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Br)O" ;
dbp:inchikey "MNOJRWOWILAHAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002767 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3BrFol" ;
skos:prefLabel "3-broomfenol"@nl .
csc:KTWOOEGAPBSYNW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7611 ;
dbo:casNumber "55404-68-7" , "51364-12-6" , "102-54-5" ;
dbo:formula "C10H10Fe" ;
dbo:inchi "InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2" ;
dbo:iupacName "cyclopenta-1,3-diene; iron(+2) cation"@en ;
dbo:pubchem "7611"^^xsd:int ;
dbo:smiles "[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]" ;
dbp:inchikey "KTWOOEGAPBSYNW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004477 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ferrcn" ;
skos:prefLabel "ferroceen"@nl .
csc:KDLHZDBZIXYQEI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23938 ;
dbo:casNumber "7440-05-3" ;
dbo:formula "Pd" ;
dbo:inchi "InChI=1S/Pd" ;
dbo:iupacName "PALLADIUM"@en ;
dbo:pubchem "23938"^^xsd:int ;
dbo:smiles "[Pd]" ;
dbp:inchikey "KDLHZDBZIXYQEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pd" ;
skos:prefLabel "palladium"@nl .
csc:PNVNVHUZROJLTJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5656 ;
dbo:casNumber "93413-69-5" ;
dbo:formula "C17H27NO2" ;
dbo:inchi "InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3" ;
dbo:iupacName "1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol"@en ;
dbo:pubchem "5656"^^xsd:int ;
dbo:smiles "CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O" ;
dbp:inchikey "PNVNVHUZROJLTJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:exactMatch wise:CAS_93413-69-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "venlfxne" ;
skos:prefLabel "venlafaxine"@nl ;
vcs:vmmParameterId "1471"^^xsd:int .
csc:CTJBHIROCMPUKL-WEVVVXLNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9571009 ;
dbo:casNumber "34681-23-7" ;
dbo:formula "C7H14N2O4S" ;
dbo:inchi "InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+" ;
dbo:iupacName "(3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate"@en ;
dbo:pubchem "9571009"^^xsd:int ;
dbo:smiles "CC(C(=NOC(=O)NC)C)S(=O)(=O)C" ;
dbp:inchikey "CTJBHIROCMPUKL-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butcbOxmsfn" ;
skos:prefLabel "butocarboximsulfon"@nl .
csc:BAZVSMNPJJMILC-OLZOCXBDSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:93469 ;
dbo:casNumber "82200-72-4" ;
dbo:formula "C14H18ClN3O2" ;
dbo:inchi "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13+/m1/s1" ;
dbo:iupacName "(1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "93469"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "BAZVSMNPJJMILC-OLZOCXBDSA-N" ;
skos:altLabel "triadimenol-B"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TadmnlB" ;
skos:prefLabel "triadimenol-b"@nl .
csc:ZBMZVLHSJCTVON-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5253 ;
dbo:casNumber "27948-47-6" , "3930-20-9" ;
dbo:formula "C12H20N2O3S" ;
dbo:inchi "InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3" ;
dbo:iupacName "N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide"@en ;
dbo:pubchem "5253"^^xsd:int ;
dbo:smiles "CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O" ;
dbp:inchikey "ZBMZVLHSJCTVON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sotll" ;
skos:prefLabel "sotalol"@nl .
csc:MBEBPYJMHLBHDJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:25211 ;
dbo:casNumber "10375-96-9" ;
dbo:formula "C14H22" ;
dbo:inchi "InChI=1S/C14H22/c1-9(2)13-7-12(6)14(10(3)4)8-11(13)5/h7-10H,1-6H3" ;
dbo:iupacName "1,4-dimethyl-2,5-di(propan-2-yl)benzene"@en ;
dbo:pubchem "25211"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1C(C)C)C)C(C)C" ;
dbp:inchikey "MBEBPYJMHLBHDJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC1y25DiC3" ;
skos:prefLabel "1,4-dimethyl-2,5-diisopropylbenzeen"@nl .
csc:FAEKWTJYAYMJKF-QHCPKHFHSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:65981 ;
dbo:casNumber "135062-02-1" ;
dbo:formula "C27H36N2O4" ;
dbo:inchi "InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1" ;
dbo:iupacName "2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid"@en ;
dbo:pubchem "65981"^^xsd:int ;
dbo:smiles "CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O" ;
dbp:inchikey "FAEKWTJYAYMJKF-QHCPKHFHSA-N" ;
skos:broader csc:CHEMONTID_0000303 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "repgnde" ;
skos:prefLabel "repaglinide"@nl .
csc:VOEYXMAFNDNNED-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14322 ;
dbo:casNumber "1129-41-5" ;
dbo:formula "C9H11NO2" ;
dbo:inchi "InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)" ;
dbo:iupacName "(3-methylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "14322"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)OC(=O)NC" ;
dbp:inchikey "VOEYXMAFNDNNED-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metcb" ;
skos:prefLabel "metolcarb"@nl .
csc:AAEVYOVXGOFMJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4929 ;
dbo:casNumber "83653-07-0" , "7287-19-6" ;
dbo:formula "C10H19N5S" ;
dbo:inchi "InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "6-methylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "4929"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)SC)NC(C)C" ;
dbp:inchikey "AAEVYOVXGOFMJO-UHFFFAOYSA-N" ;
skos:altLabel "prometryne"@nl ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_7287-19-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "promtne" ;
skos:prefLabel "prometryn"@nl ;
vcs:vmmParameterId "530"^^xsd:int .
csc:ZDLMBNHYTPHDLF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38025 ;
dbo:casNumber "38411-25-5" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-1-2-6(14)10(17)8(5)4-3-7(15)11(18)12(19)9(4)16/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "38025"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "ZDLMBNHYTPHDLF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB174" ;
skos:prefLabel "2,2',3,3',4,5,6'-heptachloorbifenyl"@nl .
csc:QWDBCIAVABMJPP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11799 ;
dbo:casNumber "605-45-8" ;
dbo:formula "C14H18O4" ;
dbo:inchi "InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3" ;
dbo:iupacName "dipropan-2-yl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "11799"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C" ;
dbp:inchikey "QWDBCIAVABMJPP-UHFFFAOYSA-N" ;
skos:altLabel "diisopropylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC3yFt" ;
skos:prefLabel "di-isopropylftalaat"@nl .
csc:UUGLSEIATNSHRI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:79372 ;
dbo:casNumber "100091-50-7" , "5395-50-6" , "53272-25-6" ;
dbo:formula "C8H14N4O6" ;
dbo:inchi "InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2" ;
dbo:iupacName "1,3,4,6-tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione"@en ;
dbo:pubchem "79372"^^xsd:int ;
dbo:smiles "C(N1C2C(N(C1=O)CO)N(C(=O)N2CO)CO)O" ;
dbp:inchikey "UUGLSEIATNSHRI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001149 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1olactlDu" ;
skos:prefLabel "tetramethanol-acetyleendiureum"@nl .
csc:OXNIZHLAWKMVMX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6954 ;
dbo:casNumber "189195-39-9" , "29663-11-4" , "190402-10-9" , "88-89-1" ;
dbo:formula "C6H3N3O7" ;
dbo:inchi "InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H" ;
dbo:iupacName "2,4,6-Trinitrophenol"@en ;
dbo:pubchem "6954"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "OXNIZHLAWKMVMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000141 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TNO2Fol" ;
skos:prefLabel "2,4,6-trinitrofenol"@nl .
csc:STVZJERGLQHEKB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7355 ;
dbo:casNumber "141104-76-9" , "25721-76-0" , "97-90-5" , "156940-26-0" , "92308-31-1" , "156932-37-5" , "170006-96-9" , "216753-70-7" , "51026-92-7" , "205501-13-9" , "138454-60-1" , "156168-97-7" , "135623-36-8" , "56480-56-9" , "25852-47-5" , "121978-90-3" , "138533-09-2" , "73212-53-0" , "81897-47-4" , "62886-53-7" , "130865-23-5" , "37211-46-4" , "108772-05-0" , "37311-07-2" , "154855-14-8" , "121266-93-1" , "12738-39-5" ;
dbo:formula "C10H14O4" ;
dbo:inchi "InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3" ;
dbo:iupacName "2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "7355"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)OCCOC(=O)C(=C)C" ;
dbp:inchikey "STVZJERGLQHEKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3ezr2C1y11" ;
skos:prefLabel "2-propeenzuur,2-methyl-,1,1'-(1,2-ethaandiyl)ester"@nl .
csc:PSIFNNKUMBGKDQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3961 ;
dbo:casNumber "114798-26-4" ;
dbo:formula "C22H23ClN6O" ;
dbo:inchi "InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)" ;
dbo:iupacName "[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol"@en ;
dbo:pubchem "3961"^^xsd:int ;
dbo:smiles "CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl" ;
dbp:inchikey "PSIFNNKUMBGKDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lostan" ;
skos:prefLabel "losartan"@nl .
csc:OHBQPCCCRFSCAX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9016 ;
dbo:casNumber "150-78-7" ;
dbo:formula "C8H10O2" ;
dbo:inchi "InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3" ;
dbo:iupacName "1,4-Dimethoxybenzene"@en ;
dbo:pubchem "9016"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)OC" ;
dbp:inchikey "OHBQPCCCRFSCAX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC1oxBen" ;
skos:prefLabel "1,4-dimethoxybenzeen"@nl .
csc:OXHDYFKENBXUEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17112 ;
dbo:casNumber "174491-49-7" , "2439-99-8" , "174491-47-5" , "174491-50-0" ;
dbo:formula "C4H11NO8P2" ;
dbo:inchi "InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)" ;
dbo:iupacName "2-(bis(phosphonomethyl)amino)acetic acid"@en ;
dbo:pubchem "17112"^^xsd:int ;
dbo:smiles "C(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O" ;
dbp:inchikey "OXHDYFKENBXUEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glyfsnt" ;
skos:prefLabel "glyfosine"@nl .
csc:YAIKCRUPEVOINQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8338 ;
dbo:casNumber "117-62-4" ;
dbo:formula "C10H9NO6S2" ;
dbo:inchi "InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)" ;
dbo:iupacName "2-Aminonaphthalene-1,5-disulfonic acid"@en ;
dbo:pubchem "8338"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C(=C1)S(=O)(=O)O" ;
dbp:inchikey "YAIKCRUPEVOINQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003600 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2AoNaf15Dsfz" ;
skos:prefLabel "2-aminonaftaleen-1,5-disulfonzuur"@nl .
csc:NIKBCKTWWPVAIC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6642 ;
dbo:casNumber "80-44-4" ;
dbo:formula "C10H14O3S" ;
dbo:inchi "InChI=1S/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3" ;
dbo:iupacName "Butyl benzenesulfonate"@en ;
dbo:pubchem "6642"^^xsd:int ;
dbo:smiles "CCCCOS(=O)(=O)C1=CC=CC=C1" ;
dbp:inchikey "NIKBCKTWWPVAIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004309 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yBensfnt" ;
skos:prefLabel "butylbenzeensulfonaat"@nl .
csc:YGSDEFSMJLZEOE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:338 ;
dbo:casNumber "69-72-7" , "7681-06-3" , "8052-31-1" ;
dbo:formula "C7H6O3" ;
dbo:inchi "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)" ;
dbo:iupacName "2-Hydroxybenzoic acid"@en ;
dbo:pubchem "338"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=O)O)O" ;
dbp:inchikey "YGSDEFSMJLZEOE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002514 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "salczr" ;
skos:prefLabel "salicylzuur"@nl .
csc:SSZWWUDQMAHNAQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7290 ;
dbo:casNumber "96-24-2" , "69420-22-0" , "52340-46-2" ;
dbo:formula "C3H7ClO2" ;
dbo:inchi "InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2" ;
dbo:iupacName "3-Chloropropane-1,2-diol"@en ;
dbo:pubchem "7290"^^xsd:int ;
dbo:smiles "C(C(CCl)O)O" ;
dbp:inchikey "SSZWWUDQMAHNAQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002608 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MClhdne" ;
skos:prefLabel "monochloorhydrine"@nl .
csc:ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7914 ;
dbo:casNumber "108-20-3" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" ;
dbo:iupacName "2-propan-2-yloxypropane"@en ;
dbo:pubchem "7914"^^xsd:int ;
dbo:smiles "CC(C)OC(C)C" ;
dbp:inchikey "ZAFNJMIOTHYJRJ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_008 , co:LUC_IV_011 ;
skos:altLabel "di-isopropylether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC3yEtr" ;
skos:prefLabel "diisopropylether"@nl .
csc:BZHJMEDXRYGGRV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl , "VLAR III (D3) 'vinylchloride'"@nl , "VLAREM bijlage 2.5.1 'monovinylchloride'"@nl , "VLAR II Art. 5.7.7.1"@nl ;
rdfs:seeAlso compound:6338 ;
dbo:casNumber "9002-86-2" , "75-01-4" ;
dbo:formula "C2H3Cl" ;
dbo:inchi "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" ;
dbo:iupacName "Chloroethene"@en ;
dbo:pubchem "6338"^^xsd:int ;
dbo:smiles "C=CCl" ;
dbp:inchikey "BZHJMEDXRYGGRV-UHFFFAOYSA-N" ;
skos:altLabel "chlooretheen (vinylchloride)"@nl , "vinylchloride"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_75-01-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClC2e" ;
skos:prefLabel "vinylchloride "@nl ;
vcs:vmmParameterId "570"^^xsd:int .
csc:BRPSAOUFIJSKOT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11844 ;
dbo:casNumber "27134-27-6" , "608-27-5" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2" ;
dbo:iupacName "2,3-Dichloroaniline"@en ;
dbo:pubchem "11844"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)N" ;
dbp:inchikey "BRPSAOUFIJSKOT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_608-27-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClAn" ;
skos:prefLabel "2,3-dichlooraniline"@nl ;
vcs:vmmParameterId "43"^^xsd:int .
csc:KGKGSIUWJCAFPX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15968 ;
dbo:casNumber "1918-13-4" ;
dbo:formula "C7H5Cl2NS" ;
dbo:inchi "InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" ;
dbo:iupacName "2,6-Dichlorobenzenecarbothioamide"@en ;
dbo:pubchem "15968"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=N)S)Cl" ;
dbp:inchikey "KGKGSIUWJCAFPX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CltaAd" ;
skos:prefLabel "chloorthiamide"@nl .
csc:SRSXLGNVWSONIS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7371 ;
dbo:casNumber "98-11-3" ;
dbo:formula "C6H6O3S" ;
dbo:inchi "InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)" ;
dbo:iupacName "BENZENESULFONIC ACID"@en ;
dbo:pubchem "7371"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)O" ;
dbp:inchikey "SRSXLGNVWSONIS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bensfzr" ;
skos:prefLabel "benzeensulfonzuur"@nl .
csc:HOPMUCXYRNOABF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40481 ;
dbo:casNumber "52663-74-8" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-5(9(16)7(14)2-4)6-3-8(15)11(18)12(19)10(6)17/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40481"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "HOPMUCXYRNOABF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB172" ;
skos:prefLabel "2,2',3,3',4,5,5'-heptachloorbifenyl"@nl .
csc:KBPLFHHGFOOTCA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:957 ;
dbo:casNumber "68603-15-6" , "67700-96-3" , "111-87-5" , "220713-26-8" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" ;
dbo:iupacName "OCTAN-1-OL"@en ;
dbo:pubchem "957"^^xsd:int ;
dbo:smiles "CCCCCCCCO" ;
dbp:inchikey "KBPLFHHGFOOTCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C8ol" ;
skos:prefLabel "1-octanol"@nl .
csc:DNXXUUPUQXSUFH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:68191 ;
dbo:casNumber "515-40-2" ;
dbo:formula "C10H13Cl" ;
dbo:inchi "InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3" ;
dbo:iupacName "(1-chloro-2-methylpropan-2-yl)benzene"@en ;
dbo:pubchem "68191"^^xsd:int ;
dbo:smiles "CC(C)(CCl)C1=CC=CC=C1" ;
dbp:inchikey "DNXXUUPUQXSUFH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl11DC1yC2y" ;
skos:prefLabel "2-chloor-1,1-dimethylethylbenzeen"@nl .
csc:RZJRJXONCZWCBN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11635 ;
dbo:casNumber "593-45-3" ;
dbo:formula "C18H38" ;
dbo:inchi "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" ;
dbo:iupacName "Octadecane"@en ;
dbo:pubchem "11635"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "RZJRJXONCZWCBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18a" ;
skos:prefLabel "octadecaan"@nl .
csc:VDFVNEFVBPFDSB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10450 ;
dbo:casNumber "505-22-6" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2" ;
dbo:iupacName "1,3-DIOXANE"@en ;
dbo:pubchem "10450"^^xsd:int ;
dbo:smiles "C1COCOC1" ;
dbp:inchikey "VDFVNEFVBPFDSB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DOxan" ;
skos:prefLabel "1,3-dioxaan"@nl .
csc:HZEBHPIOVYHPMT-OUBTZVSYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6328544 ;
dbo:casNumber "13981-52-7" ;
dbo:formula "Po" ;
dbo:inchi "InChI=1S/Po/i1+1" ;
dbo:iupacName "polonium-210"@en ;
dbo:pubchem "6328544"^^xsd:int ;
dbo:smiles "[Po]" ;
dbp:inchikey "HZEBHPIOVYHPMT-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Po210" ;
skos:prefLabel "polonium 210"@nl .
csc:DSBIJCMXAIKKKI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7444 ;
dbo:casNumber "99-55-8" ;
dbo:formula "C7H8N2O2" ;
dbo:inchi "InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3" ;
dbo:iupacName "2-Methyl-5-nitroaniline"@en ;
dbo:pubchem "7444"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)[N+](=O)[O-])N" ;
dbp:inchikey "DSBIJCMXAIKKKI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5NO2otlidne" ;
skos:prefLabel "5-nitro-ortho-toluidine"@nl .
csc:SSIZLKDLDKIHEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11847 ;
dbo:casNumber "608-33-3" ;
dbo:formula "C6H4Br2O" ;
dbo:inchi "InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H" ;
dbo:iupacName "2,6-Dibromophenol"@en ;
dbo:pubchem "11847"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Br)O)Br" ;
dbp:inchikey "SSIZLKDLDKIHEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002768 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DBrFol" ;
skos:prefLabel "2,6-dibroomfenol"@nl .
csc:MVWHGTYKUMDIHL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37034 ;
dbo:casNumber "35065-27-1" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "37034"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "MVWHGTYKUMDIHL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,2',4,4',5,5'-hexachloorbifenyl"@nl , "pcb 153"@nl , "2,2',4,4',5,5'-hexachloorbifenyl (pcb153)"@nl , "pcb-153"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-27-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB153" ;
skos:prefLabel "PCB-153"@nl ;
vcs:vmmParameterId "1415"^^xsd:int , "438"^^xsd:int .
csc:LMNZTLDVJIUSHT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12901 ;
dbo:casNumber "732-11-6" , "5104-30-3" ;
dbo:formula "C11H12NO4PS2" ;
dbo:inchi "InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" ;
dbo:iupacName "2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione"@en ;
dbo:pubchem "12901"^^xsd:int ;
dbo:smiles "COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O" ;
dbp:inchikey "LMNZTLDVJIUSHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosmt" ;
skos:prefLabel "fosmet"@nl .
csc:DVBJBNKEBPCGSY-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8816 ;
dbo:casNumber "140-72-7" ;
dbo:formula "C21H38BrN" ;
dbo:inchi "InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1" ;
dbo:iupacName "1-hexadecylpyridin-1-ium bromide"@en ;
dbo:pubchem "8816"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]" ;
dbp:inchikey "DVBJBNKEBPCGSY-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001764 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "hexadecylpyridinium"@nl .
csc:CIFWZNRJIBNXRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:86296 ;
dbo:casNumber "110235-47-7" ;
dbo:formula "C14H13N3" ;
dbo:inchi "InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)" ;
dbo:iupacName "4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine"@en ;
dbo:pubchem "86296"^^xsd:int ;
dbo:smiles "CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2" ;
dbp:inchikey "CIFWZNRJIBNXRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mepnprm" ;
skos:prefLabel "mepanipyrim"@nl .
csc:DENRZWYUOJLTMF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6163 ;
dbo:casNumber "64-67-5" , "182115-04-4" , "98503-29-8" ;
dbo:formula "C4H10O4S" ;
dbo:inchi "InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3" ;
dbo:iupacName "Diethyl sulfate"@en ;
dbo:pubchem "6163"^^xsd:int ;
dbo:smiles "CCOS(=O)(=O)OCC" ;
dbp:inchikey "DENRZWYUOJLTMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001184 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2ySO4" ;
skos:prefLabel "diethylsulfaat"@nl .
csc:FTOVXSOBNPWTSH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II (D2)"@nl ;
rdfs:seeAlso compound:9153 ;
dbo:casNumber "205-99-2" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H" ;
dbo:iupacName "pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene"@en ;
dbo:pubchem "9153"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1" ;
dbp:inchikey "FTOVXSOBNPWTSH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "benzo(b)fluorantheen (b)"@nl , "benzo(b)fluorantheen"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:exactMatch wise:CAS_205-99-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BbF" ;
skos:prefLabel "benzo(b)fluoran-teen"@nl ;
vcs:vmmParameterId "422"^^xsd:int , "1424"^^xsd:int .
csc:FOANIXZHAMJWOI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:28936 ;
dbo:casNumber "18181-80-1" , "39394-17-7" ;
dbo:formula "C17H16Br2O3" ;
dbo:inchi "InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3" ;
dbo:iupacName "propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate"@en ;
dbo:pubchem "28936"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O" ;
dbp:inchikey "FOANIXZHAMJWOI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Brpplt" ;
skos:prefLabel "broompropylaat"@nl .
csc:IANUJLZYFUDJIH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:86429 ;
dbo:casNumber "142459-58-3" ;
dbo:formula "C14H13F4N3O2S" ;
dbo:inchi "InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3" ;
dbo:iupacName "N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide"@en ;
dbo:pubchem "86429"^^xsd:int ;
dbo:smiles "CC(C)N(C1=CC=C(C=C1)F)C(=O)COC2=NN=C(S2)C(F)(F)F" ;
dbp:inchikey "IANUJLZYFUDJIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_142459-58-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flufnct" ;
skos:prefLabel "flufenacet"@nl ;
vcs:vmmParameterId "976"^^xsd:int .
csc:AHANXAKGNAKFSK-IUQGRGSQSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5282827 ;
dbo:casNumber "2091-27-2" ;
dbo:formula "C20H34O2" ;
dbo:inchi "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+" ;
dbo:iupacName "['(11E,14E,17E)-icosa-11,14,17-trienoic acid', 'icosa-11,14,17-trienoic acid']"@en ;
dbo:pubchem "5282827"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCCCCCCCCCC(=O)O" ;
dbp:inchikey "AHANXAKGNAKFSK-IUQGRGSQSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c111417C20aT" ;
skos:prefLabel "cis-11,14,17-eicosatrieenzuur"@nl .
csc:XRJLAOUDSILTFT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91665 ;
dbo:casNumber "57369-32-1" , "84930-99-4" ;
dbo:formula "C11H11NO" ;
dbo:inchi "InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2" ;
dbo:iupacName "1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one"@en ;
dbo:pubchem "91665"^^xsd:int ;
dbo:smiles "C1CC(=O)N2CCC3=CC=CC1=C32" ;
dbp:inchikey "XRJLAOUDSILTFT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001716 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrqln" ;
skos:prefLabel "pyroquilon"@nl .
csc:NLXLAEXVIDQMFP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25517 ;
dbo:casNumber "50295-88-0" , "128532-42-3" , "54450-56-5" , "55871-05-1" , "154383-48-9" , "89485-85-8" , "15630-61-2" , "12125-02-9" , "127634-24-6" , "20548-08-7" , "89485-84-7" , "75944-36-4" ;
dbo:formula "ClH4N" ;
dbo:inchi "InChI=1S/ClH.H3N/h1H;1H3" ;
dbo:iupacName "azanium chloride"@en ;
dbo:pubchem "25517"^^xsd:int ;
dbo:smiles "[NH4+].[Cl-]" ;
dbp:inchikey "NLXLAEXVIDQMFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000437 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NH4Cl" ;
skos:prefLabel "ammoniumchloride"@nl .
csc:GRYLNZFGIOXLOG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:944 ;
dbo:casNumber "68412-17-9" , "7697-37-2" , "218625-70-8" , "78989-43-2" , "12507-77-6" ;
dbo:formula "HNO3" ;
dbo:inchi "InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)" ;
dbo:iupacName "Nitric acid"@en ;
dbo:pubchem "944"^^xsd:int ;
dbo:smiles "[N+](=O)(O)[O-]" ;
dbp:inchikey "GRYLNZFGIOXLOG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001062 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HNO3" ;
skos:prefLabel "salpeterzuur"@nl .
csc:DWRKFAJEBUWTQM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91673 ;
dbo:casNumber "60207-93-4" , "71245-23-3" ;
dbo:formula "C14H15Cl2N3O2" ;
dbo:inchi "InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3" ;
dbo:iupacName "1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "91673"^^xsd:int ;
dbo:smiles "CCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "DWRKFAJEBUWTQM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etcnzl" ;
skos:prefLabel "etaconazool"@nl .
csc:XCSNRORTQRKCHB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6740 ;
dbo:casNumber "83-42-1" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3" ;
dbo:iupacName "1-Chloro-2-methyl-3-nitrobenzene"@en ;
dbo:pubchem "6740"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1Cl)[N+](=O)[O-]" ;
dbp:inchikey "XCSNRORTQRKCHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_83-42-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6NO2Tol" ;
skos:prefLabel "2-chloor-6-nitrotolueen"@nl ;
vcs:vmmParameterId "771"^^xsd:int .
csc:RWCCWEUUXYIKHB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3102 ;
dbo:casNumber "119-61-9" ;
dbo:formula "C13H10O" ;
dbo:inchi "InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "di(phenyl)methanone"@en ;
dbo:pubchem "3102"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "RWCCWEUUXYIKHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzfnn" ;
skos:prefLabel "benzofenon"@nl .
csc:FSGNOVKGEXRRHD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:89040 ;
dbo:casNumber "21757-82-4" ;
dbo:formula "C10H7Cl5O2" ;
dbo:inchi "InChI=1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3" ;
dbo:iupacName "[2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate"@en ;
dbo:pubchem "89040"^^xsd:int ;
dbo:smiles "CC(=O)OC(C1=CC(=C(C=C1)Cl)Cl)C(Cl)(Cl)Cl" ;
dbp:inchikey "FSGNOVKGEXRRHD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "plifnt" ;
skos:prefLabel "plifenaat"@nl .
csc:XMTQQYYKAHVGBJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3120 ;
dbo:casNumber "330-54-1" , "56449-18-4" , "127641-75-2" , "150825-44-8" , "201749-62-4" , "102962-29-8" ;
dbo:formula "C9H10Cl2N2O" ;
dbo:inchi "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" ;
dbo:iupacName "3-(3,4-Dichlorophenyl)-1,1-dimethylurea"@en ;
dbo:pubchem "3120"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "XMTQQYYKAHVGBJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_330-54-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Durn" ;
skos:prefLabel "diuron"@nl ;
vcs:vmmParameterId "273"^^xsd:int .
csc:PPKPKFIWDXDAGC-IHWYPQMZSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5463459 ;
dbo:casNumber "563-54-2" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2-" ;
dbo:iupacName "(Z)-1,2-dichloroprop-1-ene"@en ;
dbo:pubchem "5463459"^^xsd:int ;
dbo:smiles "CC(=CCl)Cl" ;
dbp:inchikey "PPKPKFIWDXDAGC-IHWYPQMZSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DClC3e" ;
skos:prefLabel "1,2-dichloorpropeen"@nl .
csc:LLEMOWNGBBNAJR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7017 ;
dbo:casNumber "39387-78-5" , "192076-92-9" , "90-43-7" , "61788-42-9" ;
dbo:formula "C12H10O" ;
dbo:inchi "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" ;
dbo:iupacName "2-Phenylphenol"@en ;
dbo:pubchem "7017"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=C2O" ;
dbp:inchikey "LLEMOWNGBBNAJR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyFol" ;
skos:prefLabel "2-fenylfenol"@nl .
csc:BAVYZALUXZFZLV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6329 ;
dbo:casNumber "42939-70-8" , "85404-17-7" , "119775-09-6" , "74-89-5" ;
dbo:formula "CH5N" ;
dbo:inchi "InChI=1S/CH5N/c1-2/h2H2,1H3" ;
dbo:iupacName "Methanamine"@en ;
dbo:pubchem "6329"^^xsd:int ;
dbo:smiles "CN" ;
dbp:inchikey "BAVYZALUXZFZLV-UHFFFAOYSA-N" ;
skos:altLabel "methylamine "@nl , "methylamine"@nl ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC1yAe" ;
skos:prefLabel "monomethylamine"@nl .
csc:BJNCSIWIMCWIMS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12731198 ;
dbo:casNumber "141074-63-7" ;
dbo:formula "C15HF29O2" ;
dbo:inchi "InChI=1S/C15HF29O2/c16-2(17,1(45)46)3(18,19)4(20,21)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)44/h(H,45,46)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoic acid"@en ;
dbo:pubchem "12731198"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "BJNCSIWIMCWIMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFPeDA" ;
skos:prefLabel "perfluor-n-pentadecaanzuur"@nl .
csc:TUBQDCKAWGHZPF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:30692 ;
dbo:casNumber "21564-17-0" , "56532-60-6" , "6441-45-8" , "56996-45-3" , "64441-45-8" ;
dbo:formula "C9H6N2S3" ;
dbo:inchi "InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2" ;
dbo:iupacName "2-(thiocyanatomethylsulfanyl)-1,3-benzothiazole"@en ;
dbo:pubchem "30692"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)SCSC#N" ;
dbp:inchikey "TUBQDCKAWGHZPF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TCMTB" ;
skos:prefLabel "2-(thiocyanomethylthio)benzothiazool"@nl .
csc:UCRQJBCLZKHOGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:98257 ;
dbo:casNumber "13432-25-2" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-5-7(4)8(9)6(2)3/h6-9H,5H2,1-4H3" ;
dbo:iupacName "2,4-Dimethylhexan-3-ol"@en ;
dbo:pubchem "98257"^^xsd:int ;
dbo:smiles "CCC(C)C(C(C)C)O" ;
dbp:inchikey "UCRQJBCLZKHOGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1y3C6ol" ;
skos:prefLabel "2,4-dimethyl-3-hexanol"@nl .
csc:KZCBXHSWMMIEQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16493 ;
dbo:casNumber "2136-79-0" ;
dbo:formula "C8H2Cl4O4" ;
dbo:inchi "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" ;
dbo:iupacName "2,3,5,6-Tetrachloroterephthalic acid"@en ;
dbo:pubchem "16493"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" ;
dbp:inchikey "KZCBXHSWMMIEQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001108 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cltl" ;
skos:prefLabel "chloorthal"@nl .
csc:CIOAGBVUUVVLOB-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5486204 ;
dbo:casNumber "10098-97-2" ;
dbo:formula "Sr" ;
dbo:inchi "InChI=1S/Sr/i1+2" ;
dbo:iupacName "strontium-90"@en ;
dbo:pubchem "5486204"^^xsd:int ;
dbo:smiles "[Sr]" ;
dbp:inchikey "CIOAGBVUUVVLOB-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sr90" ;
skos:prefLabel "strontium 90"@nl .
csc:DCAYPVUWAIABOU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11006 ;
dbo:casNumber "544-76-3" ;
dbo:formula "C16H34" ;
dbo:inchi "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" ;
dbo:iupacName "HEXADECANE"@en ;
dbo:pubchem "11006"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC" ;
dbp:inchikey "DCAYPVUWAIABOU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC16a" ;
skos:prefLabel "n-hexadecaan"@nl .
csc:NYOXRYYXRWJDKP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:440 ;
dbo:casNumber "601-57-0" ;
dbo:formula "C27H44O" ;
dbo:inchi "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3" ;
dbo:iupacName "10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "440"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C" ;
dbp:inchikey "NYOXRYYXRWJDKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chole4e3on" ;
skos:prefLabel "cholest-4-en-3-one"@nl .
csc:OQRMWUNUKVUHQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8596 ;
dbo:casNumber "132-75-2" ;
dbo:formula "C12H9N" ;
dbo:inchi "InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2" ;
dbo:iupacName "2-naphthalen-1-ylacetonitrile"@en ;
dbo:pubchem "8596"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2CC#N" ;
dbp:inchikey "OQRMWUNUKVUHQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Nafactntl" ;
skos:prefLabel "1-naftaleenacetonitril"@nl .
csc:NJKDOADNQSYQEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3731 ;
dbo:casNumber "78649-41-9" ;
dbo:formula "C17H22I3N3O8" ;
dbo:inchi "InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)" ;
dbo:iupacName "N,N'-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "3731"^^xsd:int ;
dbo:smiles "CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO" ;
dbp:inchikey "NJKDOADNQSYQEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jompl" ;
skos:prefLabel "jomeprol"@nl .
csc:PCFUWBOSXMKGIP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7581 ;
dbo:casNumber "101-82-6" ;
dbo:formula "C12H11N" ;
dbo:inchi "InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2" ;
dbo:iupacName "2-(Phenylmethyl)pyridine"@en ;
dbo:pubchem "7581"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC2=CC=CC=N2" ;
dbp:inchikey "PCFUWBOSXMKGIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2benzprdne" ;
skos:prefLabel "2-benzylpyridine"@nl .
csc:RHSUJRQZTQNSLL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27975 ;
dbo:casNumber "16655-82-6" ;
dbo:formula "C12H15NO4" ;
dbo:inchi "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" ;
dbo:iupacName "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate"@en ;
dbo:pubchem "27975"^^xsd:int ;
dbo:smiles "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" ;
dbp:inchikey "RHSUJRQZTQNSLL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3HOxcbfrn" ;
skos:prefLabel "3-hydroxycarbofuran"@nl .
csc:OGJPXUAPXNRGGI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4539 ;
dbo:casNumber "70458-96-7" ;
dbo:formula "C16H18FN3O3" ;
dbo:inchi "InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)" ;
dbo:iupacName "1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid"@en ;
dbo:pubchem "4539"^^xsd:int ;
dbo:smiles "CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O" ;
dbp:inchikey "OGJPXUAPXNRGGI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norfxcne" ;
skos:prefLabel "norfloxacine"@nl .
csc:FSGTULQLEVAYRS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:81149 ;
dbo:casNumber "6641-64-1" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2" ;
dbo:iupacName "4,5-Dichloro-2-nitroaniline"@en ;
dbo:pubchem "81149"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N" ;
dbp:inchikey "FSGTULQLEVAYRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "45DCl2NO2An" ;
skos:prefLabel "4,5-dichloor-2-nitroaniline"@nl .
csc:PWKSKIMOESPYIA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:581 ;
dbo:casNumber "616-91-1" ;
dbo:formula "C5H9NO3S" ;
dbo:inchi "InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)" ;
dbo:iupacName "2-acetamido-3-sulfanylpropanoic acid"@en ;
dbo:pubchem "581"^^xsd:int ;
dbo:smiles "CC(=O)NC(CS)C(=O)O" ;
dbp:inchikey "PWKSKIMOESPYIA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002402 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actctne" ;
skos:prefLabel "acetylcysteine"@nl .
csc:PAYRUJLWNCNPSJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6115 ;
dbo:casNumber "53894-37-4" , "17843-02-6" , "146997-94-6" , "37342-16-8" , "62-53-3" ;
dbo:formula "C6H7N" ;
dbo:inchi "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" ;
dbo:iupacName "Aniline"@en ;
dbo:pubchem "6115"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N" ;
dbp:inchikey "PAYRUJLWNCNPSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_62-53-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "An" ;
skos:prefLabel "aniline"@nl ;
vcs:vmmParameterId "849"^^xsd:int .
csc:UXTIAFYTYOEQHV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:30113 ;
dbo:casNumber "20325-40-0" , "111984-09-9" ;
dbo:formula "C14H18Cl2N2O2" ;
dbo:inchi "InChI=1S/C14H16N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h3-8H,15-16H2,1-2H3;2*1H" ;
dbo:iupacName "4-(4-amino-3-methoxyphenyl)-2-methoxyaniline dihydrochloride"@en ;
dbo:pubchem "30113"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[NH3+])OC)[NH3+].[Cl-].[Cl-]" ;
dbp:inchikey "UXTIAFYTYOEQHV-UHFFFAOYSA-N" ;
skos:altLabel "3,3'-dimethoxybenzidinehydrochloride"@nl ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1oxbzdnH" , "33DC1oxbzdnD" ;
skos:prefLabel "3,3'-dimethoxybenzidine dihydrochloride"@nl .
csc:REZZEXDLIUJMMS-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7879 ;
dbo:casNumber "59111-82-9" , "66359-86-2" , "134191-39-2" , "129119-79-5" , "107-64-2" , "12677-13-3" , "14357-21-2" , "76723-98-3" ;
dbo:formula "C38H80ClN" ;
dbo:inchi "InChI=1S/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dimethyl-dioctadecylazanium chloride"@en ;
dbo:pubchem "7879"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]" ;
dbp:inchikey "REZZEXDLIUJMMS-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DODAC" ;
skos:prefLabel "dimethyldioctadecylammoniumchloride"@nl .
csc:HGCIXCUEYOPUTN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8079 ;
dbo:casNumber "110-83-8" , "33004-06-7" , "7493-04-1" , "15650-80-3" ;
dbo:formula "C6H10" ;
dbo:inchi "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" ;
dbo:iupacName "Cyclohexene"@en ;
dbo:pubchem "8079"^^xsd:int ;
dbo:smiles "C1CCC=CC1" ;
dbp:inchikey "HGCIXCUEYOPUTN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC6e" ;
skos:prefLabel "cyclohexeen"@nl .
csc:WQRCEBAZAUAUQC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3034351 ;
dbo:casNumber "25059-80-7" ;
dbo:formula "C11H10ClNO3S" ;
dbo:inchi "InChI=1S/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/h3-5H,2,6H2,1H3" ;
dbo:iupacName "ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate"@en ;
dbo:pubchem "3034351"^^xsd:int ;
dbo:smiles "CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=O" ;
dbp:inchikey "WQRCEBAZAUAUQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzlnC2y" ;
skos:prefLabel "benazolin-ethyl"@nl .
csc:JCRIDWXIBSEOEG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11312 ;
dbo:casNumber "573-56-8" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H" ;
dbo:iupacName "2,6-Dinitrophenol"@en ;
dbo:pubchem "11312"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]" ;
dbp:inchikey "JCRIDWXIBSEOEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DNO2Fol" ;
skos:prefLabel "2,6-dinitrofenol"@nl .
csc:MXHTZQSKTCCMFG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24321 ;
dbo:casNumber "620-40-6" ;
dbo:formula "C21H21N" ;
dbo:inchi "InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2" ;
dbo:iupacName "1-phenyl-N,N-bis(phenylmethyl)methanamine"@en ;
dbo:pubchem "24321"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3" ;
dbp:inchikey "MXHTZQSKTCCMFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TbenzAe" ;
skos:prefLabel "tribenzylamine"@nl .
csc:XFWOTCACTPMVSB-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74764357 ;
dbo:casNumber "144550-36-7" ;
dbo:formula "C14H13IN5NaO6S" ;
dbo:inchi "InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22,23,24);/q;+1/p-1" ;
dbo:iupacName "['sodium (Z)-(5-iodo-2-methoxycarbonylphenyl)sulfonylimino-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]methanolate', 'sodium (5-iodo-2-methoxycarbonylphenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide']"@en ;
dbo:pubchem "74764357"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)N=S(=O)(C2=C(C=CC(=C2)I)C(=O)OC)[O-].[Na+]" ;
dbp:inchikey "XFWOTCACTPMVSB-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "IsfrnC1yNa" ;
skos:prefLabel "jodosulfuron-methyl-natrium"@nl .
csc:JMYWPEQXUQGQNF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:87012 ;
dbo:casNumber "17233-71-5" ;
dbo:formula "CH2S6" ;
dbo:inchi "InChI=1S/CH2S6/c1-2-4-6-7-5-3-1/h1H2" ;
dbo:iupacName "Hexathiepane"@en ;
dbo:pubchem "87012"^^xsd:int ;
dbo:smiles "C1SSSSSS1" ;
dbp:inchikey "JMYWPEQXUQGQNF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000002 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123456Hxtpne" ;
skos:prefLabel "1,2,3,4,5,6-hexathiepane"@nl .
csc:SWXVUIWOUIDPGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:31256 ;
dbo:casNumber "123-42-2" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" ;
dbo:iupacName "4-Hydroxy-4-methylpentan-2-one"@en ;
dbo:pubchem "31256"^^xsd:int ;
dbo:smiles "CC(=O)CC(C)(C)O" ;
dbp:inchikey "SWXVUIWOUIDPGS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_007 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0002913 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Hox4C1y2C5o" ;
skos:prefLabel "4-hydroxy-4-methyl-2-pentanon"@nl .
csc:YXEOEPYIBGTLML-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17077 ;
dbo:casNumber "2432-12-4" ;
dbo:formula "C7H6Cl2O" ;
dbo:inchi "InChI=1S/C7H6Cl2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3" ;
dbo:iupacName "2,6-Dichloro-4-methylphenol"@en ;
dbo:pubchem "17077"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)Cl)O)Cl" ;
dbp:inchikey "YXEOEPYIBGTLML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DCl4C1yFol" ;
skos:prefLabel "2,6-dichloor-4-methylfenol"@nl .
csc:XLNZEKHULJKQBA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25670 ;
dbo:casNumber "13071-79-9" ;
dbo:formula "C9H21O2PS3" ;
dbo:inchi "InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3" ;
dbo:iupacName "tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "25670"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSC(C)(C)C" ;
dbp:inchikey "XLNZEKHULJKQBA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:exactMatch wise:CAS_13071-79-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbfs" ;
skos:prefLabel "terbufos"@nl ;
vcs:vmmParameterId "806"^^xsd:int .
csc:VYNGFCUGSYEOOZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19758 ;
dbo:casNumber "3878-45-3" ;
dbo:formula "C18H15PS" ;
dbo:inchi "InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ;
dbo:iupacName "tri(phenyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "19758"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "VYNGFCUGSYEOOZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001814 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFyffnS" ;
skos:prefLabel "trifenylfosfinesulfide"@nl .
csc:NUMQCACRALPSHD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12512 ;
dbo:casNumber "637-92-3" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" ;
dbo:iupacName "2-Ethoxy-2-methylpropane"@en ;
dbo:pubchem "12512"^^xsd:int ;
dbo:smiles "CCOC(C)(C)C" ;
dbp:inchikey "NUMQCACRALPSHD-UHFFFAOYSA-N" ;
skos:altLabel "ethyl-tert-butylether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2ox2C1yC3a" ;
skos:prefLabel "2-ethoxy-2-methylpropaan"@nl .
csc:RVULBHWZFCBODE-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:44072 ;
dbo:casNumber "94128-03-7" , "63748-59-4" , "62476-59-9" ;
dbo:formula "C14H6ClF3NNaO5" ;
dbo:inchi "InChI=1S/C14H7ClF3NO5.Na/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;/h1-6H,(H,20,21);/q;+1/p-1" ;
dbo:iupacName "sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate"@en ;
dbo:pubchem "44072"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-].[Na+]" ;
dbp:inchikey "RVULBHWZFCBODE-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acFfNazt" ;
skos:prefLabel "acifluorfen-natriumzout"@nl .
csc:XLJMAIOERFSOGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:540 ;
dbo:casNumber "420-05-3" ;
dbo:formula "CHNO" ;
dbo:inchi "InChI=1S/CHNO/c2-1-3/h3H" ;
dbo:iupacName "Cyanic acid"@en ;
dbo:pubchem "540"^^xsd:int ;
dbo:smiles "C(#N)O" ;
dbp:inchikey "XLJMAIOERFSOGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000363 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Czr" ;
skos:prefLabel "cyaanzuur"@nl .
csc:ZMHZSHHZIKJFIR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5484215 ;
dbo:casNumber "15231-57-9" ;
dbo:formula "C8H17Sn" ;
dbo:inchi "InChI=1S/C8H17.Sn/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;" ;
dbo:iupacName "Octyl tin"@en ;
dbo:pubchem "5484215"^^xsd:int ;
dbo:smiles "CCCCCCCC[Sn]" ;
dbp:inchikey "ZMHZSHHZIKJFIR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001523 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "monooctyltin"@nl .
csc:GWLKCPXYBLCEKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:34702 ;
dbo:casNumber "32768-54-0" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3" ;
dbo:iupacName "1,2-dichloro-3-methylbenzene"@en ;
dbo:pubchem "34702"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)Cl)Cl" ;
dbp:inchikey "GWLKCPXYBLCEKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClTol" ;
skos:prefLabel "2,3-dichloortolueen"@nl .
csc:HCYGJXYCUXDCHD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:294709 ;
dbo:casNumber "55282-17-2" ;
dbo:formula "C26H54" ;
dbo:inchi "InChI=1S/C26H54/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(5-2)6-3/h26H,4-25H2,1-3H3" ;
dbo:iupacName "3-Ethyltetracosane"@en ;
dbo:pubchem "294709"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCC(CC)CC" ;
dbp:inchikey "HCYGJXYCUXDCHD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2yC24a" ;
skos:prefLabel "3-ethyltetracosaan"@nl .
csc:RIWRBSMFKVOJMN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7531 ;
dbo:casNumber "100-86-7" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3" ;
dbo:iupacName "2-Methyl-1-phenylpropan-2-ol"@en ;
dbo:pubchem "7531"^^xsd:int ;
dbo:smiles "CC(C)(CC1=CC=CC=C1)O" ;
dbp:inchikey "RIWRBSMFKVOJMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y1Fy2C3ol" ;
skos:prefLabel "2-methyl-1-fenyl-2-propanol"@nl .
csc:DNWJJJOJBSVOEL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17183 ;
dbo:casNumber "2471-83-2" ;
dbo:formula "C11H10" ;
dbo:inchi "InChI=1S/C11H10/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2-9H,1H2" ;
dbo:iupacName "1-ETHENYL-1H-INDENE"@en ;
dbo:pubchem "17183"^^xsd:int ;
dbo:smiles "C=CC1C=CC2=CC=CC=C12" ;
dbp:inchikey "DNWJJJOJBSVOEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000021 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2yididn" ;
skos:prefLabel "1-ethylideenindeen"@nl .
csc:FZSVSABTBYGOQH-XFFZJAGNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5364932 ;
dbo:casNumber "39196-18-4" ;
dbo:formula "C9H18N2O2S" ;
dbo:inchi "InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7-" ;
dbo:iupacName "[(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "5364932"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=NOC(=O)NC)CSC" ;
dbp:inchikey "FZSVSABTBYGOQH-XFFZJAGNSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnx" ;
skos:prefLabel "thiofanox"@nl .
csc:JBCUKQQIWSWEOK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77956 ;
dbo:casNumber "4273-98-7" ;
dbo:formula "C12H11NO2S" ;
dbo:inchi "InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2" ;
dbo:iupacName "2-phenylsulfonylaniline"@en ;
dbo:pubchem "77956"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N" ;
dbp:inchikey "JBCUKQQIWSWEOK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FysfnAn" ;
skos:prefLabel "2-(fenylsulfonyl)aniline"@nl .
csc:SPANOECCGNXGNR-UITAMQMPSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5284376 ;
dbo:casNumber "17708-57-5" , "2303-16-4" ;
dbo:formula "C10H17Cl2NOS" ;
dbo:inchi "InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-" ;
dbo:iupacName "['S-[(Z)-2,3-dichloroprop-2-enyl] (di(propan-2-yl)amino)methanethioate', 'S-(2,3-dichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate']"@en ;
dbo:pubchem "5284376"^^xsd:int ;
dbo:smiles "CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl" ;
dbp:inchikey "SPANOECCGNXGNR-UITAMQMPSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dalt" ;
skos:prefLabel "diallaat"@nl .
csc:BZFBDUQOBQHBSZ-BJRTZXQSSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14729 ;
dbo:casNumber "1249-84-9" ;
dbo:formula "C25H46Cl2N2O" ;
dbo:inchi "InChI=1S/C25H44N2O.2ClH/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4;;/h7,19-23,28H,6,8-17H2,1-5H3;2*1H/t19-,20?,21-,22-,23-,24?,25?;;/m0../s1" ;
dbo:iupacName "(3S,9S,14S,17S)-17-(3-dimethylaminopropyl-methylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol dihydrochloride"@en ;
dbo:pubchem "14729"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2N(C)CCCN(C)C)CC=C4C3(CCC(C4)O)C.Cl.Cl" ;
dbp:inchikey "BZFBDUQOBQHBSZ-BJRTZXQSSA-N" ;
skos:broader csc:CHEMONTID_0003053 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DazclsrDHCl" ;
skos:prefLabel "diazacholesterol-dihydrochloride"@nl .
csc:KDLRVYVGXIQJDK-NOWPCOIGSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29029 ;
dbo:casNumber "24620-78-8" , "16669-21-9" , "18323-44-9" , "13441-63-9" , "24696-19-3" ;
dbo:formula "C18H33ClN2O5S" ;
dbo:inchi "InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1" ;
dbo:iupacName "(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide"@en ;
dbo:pubchem "29029"^^xsd:int ;
dbo:smiles "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl" ;
dbp:inchikey "KDLRVYVGXIQJDK-NOWPCOIGSA-N" ;
skos:broader csc:CHEMONTID_0004322 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clindmcne" ;
skos:prefLabel "clindamycine"@nl .
csc:MHKBMNACOMRIAW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6191 ;
dbo:casNumber "66-56-8" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H" ;
dbo:iupacName "2,3-DINITROPHENOL"@en ;
dbo:pubchem "6191"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)O)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "MHKBMNACOMRIAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DNO2Fol" ;
skos:prefLabel "2,3-dinitrofenol"@nl .
csc:GWYFCOCPABKNJV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10430 ;
dbo:casNumber "503-74-2" , "92634-50-9" , "35915-22-1" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)" ;
dbo:iupacName "3-Methylbutanoic acid"@en ;
dbo:pubchem "10430"^^xsd:int ;
dbo:smiles "CC(C)CC(=O)O" ;
dbp:inchikey "GWYFCOCPABKNJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003544 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ivlrazr" ;
skos:prefLabel "iso-valeriaanzuur"@nl .
csc:GJRQTCIYDGXPES-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8038 ;
dbo:casNumber "110-19-0" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" ;
dbo:iupacName "2-Methylpropyl acetate"@en ;
dbo:pubchem "8038"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C" ;
dbp:inchikey "GJRQTCIYDGXPES-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_004 ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yactt" ;
skos:prefLabel "iso-butylacetaat"@nl .
csc:MQXQVCLAUDMCEF-CWLIKTDRSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62883 ;
dbo:casNumber "26787-78-0" , "61336-70-7" ;
dbo:formula "C16H25N3O8S" ;
dbo:inchi "InChI=1S/C16H19N3O5S.3H2O/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;;;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);3*1H2/t9-,10-,11+,14-;;;/m1.../s1" ;
dbo:iupacName "(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate"@en ;
dbo:pubchem "62883"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.O.O.O" ;
dbp:inchikey "MQXQVCLAUDMCEF-CWLIKTDRSA-N" ;
skos:broader csc:CHEMONTID_0000174 ;
skos:exactMatch wise:CAS_26787-78-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amxclne" ;
skos:prefLabel "amoxicilline"@nl ;
vcs:vmmParameterId "1855"^^xsd:int .
csc:QUKOJKFJIHSBKV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:92723 ;
dbo:casNumber "7154-79-2" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3" ;
dbo:iupacName "2,2,3,3-Tetramethylpentane"@en ;
dbo:pubchem "92723"^^xsd:int ;
dbo:smiles "CCC(C)(C)C(C)(C)C" ;
dbp:inchikey "QUKOJKFJIHSBKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2233T4C1yC5a" ;
skos:prefLabel "2,2,3,3-tetramethylpentaan"@nl .
csc:PFURGBBHAOXLIO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13601 ;
dbo:casNumber "1792-81-0" , "54383-22-1" , "931-17-9" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2" ;
dbo:iupacName "Cyclohexane-1,2-diol"@en ;
dbo:pubchem "13601"^^xsd:int ;
dbo:smiles "C1CCC(C(C1)O)O" ;
dbp:inchikey "PFURGBBHAOXLIO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12ccC6aDol" ;
skos:prefLabel "1,2-cyclohexaandiol"@nl .
csc:TXCDCPKCNAJMEE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:568 ;
dbo:casNumber "132-64-9" , "214827-48-2" ;
dbo:formula "C12H8O" ;
dbo:inchi "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H" ;
dbo:iupacName "dibenzofuran"@en ;
dbo:pubchem "568"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC=C3O2" ;
dbp:inchikey "TXCDCPKCNAJMEE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000015 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dbzfrn" ;
skos:prefLabel "dibenzofuran"@nl .
csc:HAORKNGNJCEJBX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86367 ;
dbo:casNumber "121552-61-2" ;
dbo:formula "C14H15N3" ;
dbo:inchi "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" ;
dbo:iupacName "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine"@en ;
dbo:pubchem "86367"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3" ;
dbp:inchikey "HAORKNGNJCEJBX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_121552-61-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cypdnl" ;
skos:prefLabel "cyprodinil"@nl ;
vcs:vmmParameterId "1017"^^xsd:int .
csc:VYPSYNLAJGMNEJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24261 ;
dbo:casNumber "15468-32-3" , "70594-95-5" , "17679-64-0" , "105269-70-3" , "14464-46-1" , "1317-94-8" , "12425-26-2" , "122304-49-8" , "1317-79-9" , "15723-40-7" , "14808-60-7" , "112945-52-5" , "67256-35-3" , "92283-58-4" , "99439-28-8" , "98253-25-9" , "1317-48-2" , "7631-86-9" , "122304-48-7" , "87347-84-0" , "50926-93-7" , "12414-70-9" ;
dbo:formula "O2Si" ;
dbo:inchi "InChI=1S/O2Si/c1-3-2" ;
dbo:iupacName "Dioxosilane"@en ;
dbo:pubchem "24261"^^xsd:int ;
dbo:smiles "O=[Si]=O" ;
dbp:inchikey "VYPSYNLAJGMNEJ-UHFFFAOYSA-N" ;
skos:altLabel "silicaat, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000534 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SiO2" ;
skos:prefLabel "siliciumdioxide"@nl .
csc:BAZVSMNPJJMILC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41368 ;
dbo:casNumber "55219-65-3" ;
dbo:formula "C14H18ClN3O2" ;
dbo:inchi "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" ;
dbo:iupacName "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "41368"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "BAZVSMNPJJMILC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tadmnl" ;
skos:prefLabel "triadimenol"@nl .
csc:CBFCDTFDPHXCNY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8222 ;
dbo:casNumber "112-95-8" ;
dbo:formula "C20H42" ;
dbo:inchi "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" ;
dbo:iupacName "Icosane"@en ;
dbo:pubchem "8222"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "CBFCDTFDPHXCNY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C20a" ;
skos:prefLabel "eicosaan"@nl .
csc:PSPNTGGVAYLSJO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20511 ;
dbo:casNumber "4443-55-4" ;
dbo:formula "C26H52" ;
dbo:inchi "InChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h26H,2-25H2,1H3" ;
dbo:iupacName "icosylcyclohexane"@en ;
dbo:pubchem "20511"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCC1CCCCC1" ;
dbp:inchikey "PSPNTGGVAYLSJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C20yccC6a" ;
skos:prefLabel "eicosylcyclohexaan"@nl .
csc:SSBRSHIQIANGKS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:159909 ;
dbo:casNumber "21351-39-3" ;
dbo:formula "CH6N2O5S" ;
dbo:inchi "InChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)" ;
dbo:iupacName "sulfuric acid; urea"@en ;
dbo:pubchem "159909"^^xsd:int ;
dbo:smiles "C(=O)(N)N.OS(=O)(=O)O" ;
dbp:inchikey "SSBRSHIQIANGKS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001180 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCDS" ;
skos:prefLabel "monocarbamidedihydrogensulfaat"@nl .
csc:PFEFOYRSMXVNEL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12902 ;
dbo:casNumber "50356-20-2" , "19879-87-9" , "53320-88-0" , "1333-60-4" , "732-26-3" , "11100-56-4" ;
dbo:formula "C18H30O" ;
dbo:inchi "InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3" ;
dbo:iupacName "2,4,6-tritert-butylphenol"@en ;
dbo:pubchem "12902"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C" ;
dbp:inchikey "PFEFOYRSMXVNEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TttC4yFol" ;
skos:prefLabel "2,4,6-tri-tert-butylfenol"@nl .
csc:KHLRYLUKBJEYFH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:101536705 ;
dbo:casNumber "943913-15-3" ;
dbo:formula "C18H9F30O4P" ;
dbo:inchi "InChI=1S/C18H9F30O4P/c19-5(20,7(23,24)9(27,28)11(31,32)12(33,34)14(37,38)16(41,42)18(46,47)48)1-3-51-53(49,50)52-4-2-6(21,22)8(25,26)10(29,30)13(35,36)15(39,40)17(43,44)45/h1-4H2,(H,49,50)" ;
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl hydrogen phosphate"@en ;
dbo:pubchem "101536705"^^xsd:int ;
dbo:smiles "C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "KHLRYLUKBJEYFH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6:2/8:2 diPAP" ;
skos:prefLabel "6:2/8:2 fluortelomerfosfaat diester"@nl .
csc:RJTJVVYSTUQWNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13652 ;
dbo:casNumber "939-27-5" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3" ;
dbo:iupacName "2-Ethylnaphthalene"@en ;
dbo:pubchem "13652"^^xsd:int ;
dbo:smiles "CCC1=CC2=CC=CC=C2C=C1" ;
dbp:inchikey "RJTJVVYSTUQWNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yNaf" ;
skos:prefLabel "2-ethylnaftaleen"@nl .
csc:FINOAUDUYKVGDS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62334 ;
dbo:casNumber "88-41-5" ;
dbo:formula "C12H22O2" ;
dbo:inchi "InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3" ;
dbo:iupacName "(2-tert-butylcyclohexyl) acetate"@en ;
dbo:pubchem "62334"^^xsd:int ;
dbo:smiles "CC(=O)OC1CCCCC1C(C)(C)C" ;
dbp:inchikey "FINOAUDUYKVGDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "verdx" ;
skos:prefLabel "verdox"@nl .
csc:VJJPUSNTGOMMGY-MRVIYFEKSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36462 ;
dbo:casNumber "136598-18-0" , "201594-04-9" , "51854-34-3" , "33419-42-0" , "76576-58-4" , "35317-32-9" , "121471-01-0" ;
dbo:formula "C29H32O13" ;
dbo:inchi "InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1" ;
dbo:iupacName "(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"@en ;
dbo:pubchem "36462"^^xsd:int ;
dbo:smiles "CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O" ;
dbp:inchikey "VJJPUSNTGOMMGY-MRVIYFEKSA-N" ;
skos:broader csc:CHEMONTID_0000047 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etpsde" ;
skos:prefLabel "etoposide"@nl .
csc:TXGIGTRUEITPSC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:20734543 ;
dbo:casNumber "757124-72-4" ;
dbo:formula "C6H5F9O3S" ;
dbo:inchi "InChI=1S/C6H5F9O3S/c7-3(8,1-2-19(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H,16,17,18)" ;
dbo:iupacName "3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonic acid"@en ;
dbo:pubchem "20734543"^^xsd:int ;
dbo:smiles "C(CS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "TXGIGTRUEITPSC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001179 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4:2 FTS" ;
skos:prefLabel "4:2 fluortelomeersulfonzuur"@nl .
csc:CIEXPHRYOLIQQD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:42504 ;
dbo:casNumber "57646-30-7" , "66063-54-5" ;
dbo:formula "C17H19NO4" ;
dbo:inchi "InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3" ;
dbo:iupacName "methyl 2-[(2,6-dimethylphenyl)-(furan-2-carbonyl)amino]propanoate"@en ;
dbo:pubchem "42504"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2" ;
dbp:inchikey "CIEXPHRYOLIQQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004756 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "furlxl" ;
skos:prefLabel "furalaxyl"@nl .
csc:NVKAWKQGWWIWPM-ABEVXSGRSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10635 ;
dbo:casNumber "521-18-6" , "12040-51-6" , "28801-96-9" ;
dbo:formula "C19H30O2" ;
dbo:inchi "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1" ;
dbo:iupacName "(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "10635"^^xsd:int ;
dbo:smiles "CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C" ;
dbp:inchikey "NVKAWKQGWWIWPM-ABEVXSGRSA-N" ;
skos:broader csc:CHEMONTID_0001467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHT" ;
skos:prefLabel "dihydrotestosterone"@nl .
csc:GWXLDORMOJMVQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23974 ;
dbo:casNumber "7440-45-1" , "196959-41-8" , "110123-49-4" ;
dbo:formula "Ce" ;
dbo:inchi "InChI=1S/Ce" ;
dbo:iupacName "CERIUM"@en ;
dbo:pubchem "23974"^^xsd:int ;
dbo:smiles "[Ce]" ;
dbp:inchikey "GWXLDORMOJMVQZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_B_002 ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ce" ;
skos:prefLabel "cerium"@nl .
csc:YBNLWIZAWPBUKQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62478 ;
dbo:casNumber "3064-70-8" ;
dbo:formula "C2Cl6O2S" ;
dbo:inchi "InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8" ;
dbo:iupacName "trichloro-(trichloromethylsulfonyl)methane"@en ;
dbo:pubchem "62478"^^xsd:int ;
dbo:smiles "C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl" ;
dbp:inchikey "YBNLWIZAWPBUKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisTClC1ysfn" ;
skos:prefLabel "bis(trichloormethyl)sulfon"@nl .
csc:CWJSHJJYOPWUGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2728 ;
dbo:casNumber "11097-02-2" , "101-21-3" ;
dbo:formula "C10H12ClNO2" ;
dbo:inchi "InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)" ;
dbo:iupacName "propan-2-yl N-(3-chlorophenyl)carbamate"@en ;
dbo:pubchem "2728"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)NC1=CC(=CC=C1)Cl" ;
dbp:inchikey "CWJSHJJYOPWUGX-UHFFFAOYSA-N" ;
skos:altLabel "chlorpropham"@nl ;
skos:broader csc:CHEMONTID_0004714 ;
skos:exactMatch wise:CAS_101-21-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpfm" ;
skos:prefLabel "chloorprofam"@nl ;
vcs:vmmParameterId "483"^^xsd:int .
csc:XWSLYQXUTWUIKM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9038 ;
dbo:casNumber "152-18-1" ;
dbo:formula "C3H9O3PS" ;
dbo:inchi "InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3" ;
dbo:iupacName "trimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "9038"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC" ;
dbp:inchikey "XWSLYQXUTWUIKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003384 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1ytoPO4" ;
skos:prefLabel "trimethylthiofosfaat"@nl .
csc:GTRSAMFYSUBAGN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22522 ;
dbo:casNumber "6145-73-9" , "101551-02-4" ;
dbo:formula "C9H18Cl3O4P" ;
dbo:inchi "InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3" ;
dbo:iupacName "Tris(2-chloropropyl) phosphate"@en ;
dbo:pubchem "22522"^^xsd:int ;
dbo:smiles "CC(COP(=O)(OCC(C)Cl)OCC(C)Cl)Cl" ;
dbp:inchikey "GTRSAMFYSUBAGN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3ol2ClPO4" ;
skos:prefLabel "1-propanol-2-chloorfosfaat"@nl .
csc:IDGBOLGHJQQORA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62318 ;
dbo:casNumber "136013-79-1" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(7,8)1(6)3(5,9)10/h1H" ;
dbo:iupacName "1,3-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "62318"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(C(F)(F)Cl)F" ;
dbp:inchikey "IDGBOLGHJQQORA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225ea" ;
skos:prefLabel "1,3-dichloor-1,1,2,3,3-pentafluorpropaan"@nl .
csc:FRIJWEQBTIZQMD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9150 ;
dbo:casNumber "205-12-9" , "61089-87-0" , "30777-20-9" ;
dbo:formula "C17H12" ;
dbo:inchi "InChI=1S/C17H12/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2" ;
dbo:iupacName "7H-Benzo[c]fluorene"@en ;
dbo:pubchem "9150"^^xsd:int ;
dbo:smiles "C1C2=C(C3=CC=CC=C31)C4=CC=CC=C4C=C2" ;
dbp:inchikey "FRIJWEQBTIZQMD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BcFle" ;
skos:prefLabel "benzo(c)fluoreen"@nl .
csc:AFZZYIJIWUTJFO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8864 ;
dbo:casNumber "141-93-5" , "68584-01-0" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "1,3-Diethylbenzene"@en ;
dbo:pubchem "8864"^^xsd:int ;
dbo:smiles "CCC1=CC(=CC=C1)CC" ;
dbp:inchikey "AFZZYIJIWUTJFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DC2yBen" ;
skos:prefLabel "1,3-diethylbenzeen"@nl .
csc:YXTRCOAFNXQTKL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11839 ;
dbo:casNumber "607-99-8" ;
dbo:formula "C7H5Br3O" ;
dbo:inchi "InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3" ;
dbo:iupacName "1,3,5-tribromo-2-methoxybenzene"@en ;
dbo:pubchem "11839"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1Br)Br)Br" ;
dbp:inchikey "YXTRCOAFNXQTKL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TBransl" ;
skos:prefLabel "2,4,6-tribroomanisol"@nl .
csc:VLYWMPOKSSWJAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5330 ;
dbo:casNumber "80-35-3" ;
dbo:formula "C11H12N4O3S" ;
dbo:inchi "InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)" ;
dbo:iupacName "4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide"@en ;
dbo:pubchem "5330"^^xsd:int ;
dbo:smiles "COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "VLYWMPOKSSWJAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sulfamethoxypyridazine"@nl .
csc:SPOWAUDUGZVURQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91671 ;
dbo:casNumber "59229-75-3" ;
dbo:formula "C7H9N3O2" ;
dbo:inchi "InChI=1S/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3" ;
dbo:iupacName "2-methyl-5-nitrobenzene-1,3-diamine"@en ;
dbo:pubchem "91671"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1N)[N+](=O)[O-])N" ;
dbp:inchikey "SPOWAUDUGZVURQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DAo4NO2Tol" ;
skos:prefLabel "2,6-diamino-4-nitrotolueen"@nl .
csc:YCIMNLLNPGFGHC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:289 ;
dbo:casNumber "16474-90-1" , "120-80-9" , "37349-32-9" , "12385-08-9" , "16474-89-8" ;
dbo:formula "C6H6O2" ;
dbo:inchi "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" ;
dbo:iupacName "benzene-1,2-diol"@en ;
dbo:pubchem "289"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)O)O" ;
dbp:inchikey "YCIMNLLNPGFGHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000135 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DHOxBen" ;
skos:prefLabel "1,2-dihydroxybenzeen"@nl .
csc:FXHGMKSSBGDXIY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8130 ;
dbo:casNumber "111-71-7" ;
dbo:formula "C7H14O" ;
dbo:inchi "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3" ;
dbo:iupacName "Heptanal"@en ;
dbo:pubchem "8130"^^xsd:int ;
dbo:smiles "CCCCCCC=O" ;
dbp:inchikey "FXHGMKSSBGDXIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C7al" ;
skos:prefLabel "1-heptanal"@nl .
csc:CRHGSCXKJPJNAB-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:60267 ;
dbo:casNumber "108731-70-0" , "72178-02-0" ;
dbo:formula "C15H9ClF3N2NaO6S" ;
dbo:inchi "InChI=1S/C15H10ClF3N2O6S.Na/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19;/h2-7H,1H3,(H,20,22);/q;+1/p-1" ;
dbo:iupacName "sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzenecarboximidate"@en ;
dbo:pubchem "60267"^^xsd:int ;
dbo:smiles "CS(=O)(=O)N=C(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])[O-].[Na+]" ;
dbp:inchikey "CRHGSCXKJPJNAB-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fomsfn" ;
skos:prefLabel "fomesafen"@nl .
csc:HCDGVLDPFQMKDK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8302 ;
dbo:casNumber "116-15-4" ;
dbo:formula "C3F6" ;
dbo:inchi "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" ;
dbo:iupacName "1,1,2,3,3,3-hexafluoroprop-1-ene"@en ;
dbo:pubchem "8302"^^xsd:int ;
dbo:smiles "C(=C(F)F)(C(F)(F)F)F" ;
dbp:inchikey "HCDGVLDPFQMKDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HFC3ye" ;
skos:prefLabel "hexafluorpropyleen"@nl .
csc:DMBHHRLKUKUOEG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11487 ;
dbo:casNumber "86352-05-8" , "122-39-4" ;
dbo:formula "C12H11N" ;
dbo:inchi "InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" ;
dbo:iupacName "N-Phenylaniline"@en ;
dbo:pubchem "11487"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC2=CC=CC=C2" ;
dbp:inchikey "DMBHHRLKUKUOEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DFyAe" ;
skos:prefLabel "difenylamine"@nl .
csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II Art. 5.4.3.1.4"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6278 ;
dbo:casNumber "74552-83-3" , "71-55-6" ;
dbo:formula "C2H3Cl3" ;
dbo:inchi "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" ;
dbo:iupacName "1,1,1-Trichloroethane"@en ;
dbo:pubchem "6278"^^xsd:int ;
dbo:smiles "CC(Cl)(Cl)Cl" ;
dbp:inchikey "UOCLXMDMGBRAIB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_002 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_71-55-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "111TClC2a" ;
skos:prefLabel "1,1,1-trichloorethaan"@nl ;
vcs:vmmParameterId "891"^^xsd:int , "308"^^xsd:int .
csc:VHHHONWQHHHLTI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6214 ;
dbo:casNumber "67-72-1" ;
dbo:formula "C2Cl6" ;
dbo:inchi "InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8" ;
dbo:iupacName "1,1,1,2,2,2-Hexachloroethane"@en ;
dbo:pubchem "6214"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl" ;
dbp:inchikey "VHHHONWQHHHLTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_67-72-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxClC2a" ;
skos:prefLabel "hexachloorethaan"@nl ;
vcs:vmmParameterId "381"^^xsd:int .
csc:WBEJYOJJBDISQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7280 ;
dbo:casNumber "105567-86-0" , "96-12-8" , "67708-83-2" ;
dbo:formula "C3H5Br2Cl" ;
dbo:inchi "InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2" ;
dbo:iupacName "1,2-Dibromo-3-chloropropane"@en ;
dbo:pubchem "7280"^^xsd:int ;
dbo:smiles "C(C(CBr)Br)Cl" ;
dbp:inchikey "WBEJYOJJBDISQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_96-12-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DBr3ClC3a" ;
skos:prefLabel "1,2-dibroom-3-chloorpropaan"@nl ;
vcs:vmmParameterId "374"^^xsd:int .
csc:QXKPLNCZSFACPU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7138 ;
dbo:casNumber "93-37-8" ;
dbo:formula "C11H11N" ;
dbo:inchi "InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3" ;
dbo:iupacName "2,7-Dimethylquinoline"@en ;
dbo:pubchem "7138"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)C=CC(=N2)C" ;
dbp:inchikey "QXKPLNCZSFACPU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "27DC1yqnlne" ;
skos:prefLabel "2,7-dimethylquinoline"@nl .
csc:PZIRJMYRYORVIT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:28213 ;
dbo:casNumber "17040-19-6" ;
dbo:formula "C6H15O5PS2" ;
dbo:inchi "InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3" ;
dbo:iupacName "1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane"@en ;
dbo:pubchem "28213"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)CCSP(=O)(OC)OC" ;
dbp:inchikey "PZIRJMYRYORVIT-UHFFFAOYSA-N" ;
skos:altLabel "demeton-S-methylsulfon"@nl ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demtSC1ysfn" ;
skos:prefLabel "demeton-s-methylsulfon"@nl .
csc:WFNLHDJJZSJARK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6897 ;
dbo:casNumber "87-63-8" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3" ;
dbo:iupacName "2-Chloro-6-methylaniline"@en ;
dbo:pubchem "6897"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)Cl)N" ;
dbp:inchikey "WFNLHDJJZSJARK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6C1yAn" ;
skos:prefLabel "2-chloor-6-methylaniline"@nl .
csc:JCXGWMGPZLAOME-BKFZFHPZSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6328549 ;
dbo:casNumber "14733-03-0" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1+5" ;
dbo:iupacName "bismuth-214"@en ;
dbo:pubchem "6328549"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "JCXGWMGPZLAOME-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi214" ;
skos:prefLabel "bismuth 214"@nl .
csc:NJPPVKZQTLUDBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93541 ;
dbo:casNumber "116714-46-6" ;
dbo:formula "C17H9ClF8N2O4" ;
dbo:inchi "InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)" ;
dbo:iupacName "N-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "93541"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F" ;
dbp:inchikey "NJPPVKZQTLUDBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "novlrn" ;
skos:prefLabel "novaluron"@nl .
csc:FHNFHKCVQCLJFQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23991 ;
dbo:casNumber "7440-63-3" ;
dbo:formula "Xe" ;
dbo:inchi "InChI=1S/Xe" ;
dbo:iupacName "XENON"@en ;
dbo:pubchem "23991"^^xsd:int ;
dbo:smiles "[Xe]" ;
dbp:inchikey "FHNFHKCVQCLJFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Xe" ;
skos:prefLabel "xenon"@nl .
csc:MQJKPEGWNLWLTK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2955 ;
dbo:casNumber "80-08-0" ;
dbo:formula "C12H12N2O2S" ;
dbo:inchi "InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2" ;
dbo:iupacName "4-(4-aminophenyl)sulfonylaniline"@en ;
dbo:pubchem "2955"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "MQJKPEGWNLWLTK-UHFFFAOYSA-N" ;
skos:altLabel "dapsone"@nl ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dapsn" ;
skos:prefLabel "dapson"@nl .
csc:VNWKTOKETHGBQD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II (D1, definities broeikasgassen)"@nl , "VLAR III (D3, art 3.12.5.1.7) 'CH4-gehalte'"@nl ;
rdfs:seeAlso compound:297 ;
dbo:casNumber "74-82-8" ;
dbo:formula "CH4" ;
dbo:inchi "InChI=1S/CH4/h1H4" ;
dbo:iupacName "methane"@en ;
dbo:pubchem "297"^^xsd:int ;
dbo:smiles "C" ;
dbp:inchikey "VNWKTOKETHGBQD-UHFFFAOYSA-N" ;
skos:altLabel "methaan"@nl , "methaan (ch4)"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1a" ;
skos:prefLabel "methaan (CH4)"@nl .
csc:NDJKXXJCMXVBJW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12398 ;
dbo:casNumber "629-78-7" ;
dbo:formula "C17H36" ;
dbo:inchi "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3" ;
dbo:iupacName "Heptadecane"@en ;
dbo:pubchem "12398"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCC" ;
dbp:inchikey "NDJKXXJCMXVBJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C17a" ;
skos:prefLabel "heptadecaan"@nl .
csc:HSQFVBWFPBKHEB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27582 ;
dbo:casNumber "15950-66-0" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H" ;
dbo:iupacName "2,3,4-TRICHLOROPHENOL"@en ;
dbo:pubchem "27582"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1O)Cl)Cl)Cl" ;
dbp:inchikey "HSQFVBWFPBKHEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_15950-66-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "234TClFol" ;
skos:prefLabel "2,3,4-trichloorfenol"@nl ;
vcs:vmmParameterId "337"^^xsd:int .
csc:FXNDIJDIPNCZQJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7868 ;
dbo:casNumber "25167-70-8" , "12002-23-2" , "107-39-1" ;
dbo:formula "C8H16" ;
dbo:inchi "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" ;
dbo:iupacName "2,4,4-Trimethylpent-1-ene"@en ;
dbo:pubchem "7868"^^xsd:int ;
dbo:smiles "CC(=C)CC(C)(C)C" ;
dbp:inchikey "FXNDIJDIPNCZQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "244TC1yC5e" ;
skos:prefLabel "2,4,4-trimethylpenteen"@nl .
csc:QWVGKYWNOKOFNN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:335 ;
dbo:casNumber "95-48-7" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" ;
dbo:iupacName "2-Methylphenol"@en ;
dbo:pubchem "335"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1O" ;
dbp:inchikey "QWVGKYWNOKOFNN-UHFFFAOYSA-N" ;
skos:altLabel "2-methylfenol (o-cresol)"@nl , "2-methylfenol"@nl ;
skos:broader csc:CHEMONTID_0001274 ;
skos:exactMatch wise:CAS_95-48-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ocresl" ;
skos:prefLabel "o-cresol"@nl ;
vcs:vmmParameterId "658"^^xsd:int .
csc:KNHUKKLJHYUCFP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2796 ;
dbo:casNumber "637-07-0" ;
dbo:formula "C12H15ClO3" ;
dbo:inchi "InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3" ;
dbo:iupacName "Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate"@en ;
dbo:pubchem "2796"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl" ;
dbp:inchikey "KNHUKKLJHYUCFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clofbt" ;
skos:prefLabel "clofibraat"@nl .
csc:SASYSVUEVMOWPL-NXVVXOECSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5363234 ;
dbo:casNumber "3687-46-5" ;
dbo:formula "C28H54O2" ;
dbo:inchi "InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3/b16-15-" ;
dbo:iupacName "decyl (Z)-octadec-9-enoate"@en ;
dbo:pubchem "5363234"^^xsd:int ;
dbo:smiles "CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC" ;
dbp:inchikey "SASYSVUEVMOWPL-NXVVXOECSA-N" ;
skos:broader csc:CHEMONTID_0003322 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C10y9C18enat" ;
skos:prefLabel "decyl 9-octadecenoaat"@nl .
csc:HCTVWSOKIJULET-LQDWTQKMSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8605 ;
dbo:casNumber "87-08-1" , "132-98-9" , "8059-73-2" ;
dbo:formula "C16H17KN2O5S" ;
dbo:inchi "InChI=1S/C16H18N2O5S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1" ;
dbo:iupacName "potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate"@en ;
dbo:pubchem "8605"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+]" ;
dbp:inchikey "HCTVWSOKIJULET-LQDWTQKMSA-M" ;
skos:altLabel "penicilline V"@nl ;
skos:broader csc:CHEMONTID_0001189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "penclnV" ;
skos:prefLabel "penicilline v"@nl .
csc:NNKVPIKMPCQWCG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4096 ;
dbo:casNumber "10265-92-6" , "65960-97-6" , "115182-35-9" ;
dbo:formula "C2H8NO2PS" ;
dbo:inchi "InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)" ;
dbo:iupacName "(amino-methylsulfanylphosphoryl)oxymethane"@en ;
dbo:pubchem "4096"^^xsd:int ;
dbo:smiles "COP(=O)(N)SC" ;
dbp:inchikey "NNKVPIKMPCQWCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004665 ;
skos:exactMatch wise:CAS_10265-92-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mtmdfs" ;
skos:prefLabel "methamidofos"@nl ;
vcs:vmmParameterId "402"^^xsd:int .
csc:OYEHPCDNVJXUIW-VENIDDJXSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61709 ;
dbo:casNumber "13981-16-3" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu/i1-6" ;
dbo:iupacName "plutonium-238"@en ;
dbo:pubchem "61709"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "OYEHPCDNVJXUIW-VENIDDJXSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu238" ;
skos:prefLabel "plutonium 238"@nl .
csc:GUAWMXYQZKVRCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:69137 ;
dbo:casNumber "611-21-2" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3" ;
dbo:iupacName "N,2-Dimethylaniline"@en ;
dbo:pubchem "69137"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1NC" ;
dbp:inchikey "GUAWMXYQZKVRCW-UHFFFAOYSA-N" ;
skos:altLabel "n,2-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N2DC1yAn" ;
skos:prefLabel "N,2-dimethylaniline"@nl .
csc:KIWBPDUYBMNFTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6004 ;
dbo:casNumber "15066-87-2" , "540-82-9" ;
dbo:formula "C2H6O4S" ;
dbo:inchi "InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)" ;
dbo:iupacName "ethyl hydrogen sulfate"@en ;
dbo:pubchem "6004"^^xsd:int ;
dbo:smiles "CCOS(=O)(=O)O" ;
dbp:inchikey "KIWBPDUYBMNFTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2ySO4" ;
skos:prefLabel "ethylsulfaat"@nl .
csc:APFVFJFRJDLVQX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5359967 ;
dbo:casNumber "7440-74-6" ;
dbo:formula "In" ;
dbo:inchi "InChI=1S/In" ;
dbo:iupacName "INDIUM"@en ;
dbo:pubchem "5359967"^^xsd:int ;
dbo:smiles "[In]" ;
dbp:inchikey "APFVFJFRJDLVQX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "In" ;
skos:prefLabel "indium"@nl .
csc:XEEYBQQBJWHFJM-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26815 ;
dbo:casNumber "14681-59-5" ;
dbo:formula "Fe" ;
dbo:inchi "InChI=1S/Fe/i1-1" ;
dbo:iupacName "iron-55"@en ;
dbo:pubchem "26815"^^xsd:int ;
dbo:smiles "[Fe]" ;
dbp:inchikey "XEEYBQQBJWHFJM-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fe55" ;
skos:prefLabel "ijzer 55"@nl .
csc:JIRRNZWTWJGJCT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10933 ;
dbo:casNumber "541-53-7" , "26641-95-2" ;
dbo:formula "C2H5N3S2" ;
dbo:inchi "InChI=1S/C2H5N3S2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)" ;
dbo:iupacName "carbamothioylthiourea"@en ;
dbo:pubchem "10933"^^xsd:int ;
dbo:smiles "C(=NC(=N)S)(N)S" ;
dbp:inchikey "JIRRNZWTWJGJCT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dtoburt" ;
skos:prefLabel "dithiobiuret"@nl .
csc:KQUQKVGNBPTEFO-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61792 ;
dbo:casNumber "10198-45-5" , "60226-96-2" , "15339-36-3" , "7786-33-6" , "6379-47-1" ;
dbo:formula "C6H12MnN2S4" ;
dbo:inchi "InChI=1S/2C3H7NS2.Mn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2" ;
dbo:iupacName "dimethylaminomethanedithioate; manganese(+2) cation"@en ;
dbo:pubchem "61792"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Mn+2]" ;
dbp:inchikey "KQUQKVGNBPTEFO-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0003997 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "manm" ;
skos:prefLabel "manam"@nl .
csc:HEFNNWSXXWATRW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3672 ;
dbo:casNumber "58560-75-1" , "15687-27-1" ;
dbo:formula "C13H18O2" ;
dbo:inchi "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)" ;
dbo:iupacName "2-[4-(2-methylpropyl)phenyl]propanoic acid"@en ;
dbo:pubchem "3672"^^xsd:int ;
dbo:smiles "CC(C)CC1=CC=C(C=C1)C(C)C(=O)O" ;
dbp:inchikey "HEFNNWSXXWATRW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002551 ;
skos:exactMatch wise:CAS_15687-27-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ibpfn" ;
skos:prefLabel "ibuprofen"@nl ;
vcs:vmmParameterId "1400"^^xsd:int .
csc:KJCVRFUGPWSIIH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7005 ;
dbo:casNumber "50356-21-3" , "90-15-3" ;
dbo:formula "C10H8O" ;
dbo:inchi "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" ;
dbo:iupacName "naphthalen-1-ol"@en ;
dbo:pubchem "7005"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2O" ;
dbp:inchikey "KJCVRFUGPWSIIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002441 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1HOxNaf" ;
skos:prefLabel "1-hydroxynaftaleen"@nl .
csc:JXHJNEJVUNHLKO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37125 ;
dbo:casNumber "35400-43-2" ;
dbo:formula "C12H19O2PS3" ;
dbo:inchi "InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3" ;
dbo:iupacName "ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "37125"^^xsd:int ;
dbo:smiles "CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC" ;
dbp:inchikey "JXHJNEJVUNHLKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulpfs" ;
skos:prefLabel "sulprofos"@nl .
csc:VIIZJXNVVJKISZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62340 ;
dbo:casNumber "93-90-3" ;
dbo:formula "C9H13NO" ;
dbo:inchi "InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3" ;
dbo:iupacName "2-(methyl-phenylamino)ethanol"@en ;
dbo:pubchem "62340"^^xsd:int ;
dbo:smiles "CN(CCO)C1=CC=CC=C1" ;
dbp:inchikey "VIIZJXNVVJKISZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FyC1yC2olAe" ;
skos:prefLabel "fenylmethylethanolamine"@nl .
csc:SNPPWIUOZRMYNY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:444 ;
dbo:casNumber "34841-39-9" , "34911-55-2" ;
dbo:formula "C13H18ClNO" ;
dbo:inchi "InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3" ;
dbo:iupacName "2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one"@en ;
dbo:pubchem "444"^^xsd:int ;
dbo:smiles "CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C" ;
dbp:inchikey "SNPPWIUOZRMYNY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "buppon" ;
skos:prefLabel "bupropion"@nl .
csc:DOFZAZXDOSGAJZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3118 ;
dbo:casNumber "298-04-4" ;
dbo:formula "C8H19O2PS3" ;
dbo:inchi "InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "3118"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCCSCC" ;
dbp:inchikey "DOFZAZXDOSGAJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:exactMatch wise:CAS_298-04-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dsftn" ;
skos:prefLabel "disulfoton"@nl ;
vcs:vmmParameterId "397"^^xsd:int .
csc:HOKKPVIRMVDYPB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115224 ;
dbo:casNumber "111988-49-9" ;
dbo:formula "C10H9ClN4S" ;
dbo:inchi "InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2" ;
dbo:iupacName "[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide"@en ;
dbo:pubchem "115224"^^xsd:int ;
dbo:smiles "C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl" ;
dbp:inchikey "HOKKPVIRMVDYPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:exactMatch wise:CAS_111988-49-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thiacpd" ;
skos:prefLabel "thiacloprid"@nl ;
vcs:vmmParameterId "1504"^^xsd:int .
csc:UWYHMGVUTGAWSP-JKIFEVAISA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6196 ;
dbo:casNumber "66-79-5" ;
dbo:formula "C19H19N3O5S" ;
dbo:inchi "InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1" ;
dbo:iupacName "(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en ;
dbo:pubchem "6196"^^xsd:int ;
dbo:smiles "CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O" ;
dbp:inchikey "UWYHMGVUTGAWSP-JKIFEVAISA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oaclne" ;
skos:prefLabel "oxacilline"@nl .
csc:HSDSKVWQTONQBJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6985 ;
dbo:casNumber "89-74-7" ;
dbo:formula "C10H12O" ;
dbo:inchi "InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3" ;
dbo:iupacName "1-(2,4-DIMETHYLPHENYL)ETHANONE"@en ;
dbo:pubchem "6985"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C(=O)C)C" ;
dbp:inchikey "HSDSKVWQTONQBJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "124DC1yFyC2o" ;
skos:prefLabel "1-(2,4-dimethylfenyl) ethanon"@nl .
csc:YACLQRRMGMJLJV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31369 ;
dbo:casNumber "184963-09-5" , "126-99-8" ;
dbo:formula "C4H5Cl" ;
dbo:inchi "InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2" ;
dbo:iupacName "2-Chlorobuta-1,3-diene"@en ;
dbo:pubchem "31369"^^xsd:int ;
dbo:smiles "C=CC(=C)Cl" ;
dbp:inchikey "YACLQRRMGMJLJV-UHFFFAOYSA-N" ;
skos:altLabel "2-chloor-1,3-butadieen"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_126-99-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpn" ;
skos:prefLabel "chloropreen"@nl ;
vcs:vmmParameterId "349"^^xsd:int .
csc:RHIROFAGUQOFLU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:38200 ;
dbo:casNumber "39001-02-0" ;
dbo:formula "C12Cl8O" ;
dbo:inchi "InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15" ;
dbo:iupacName "1,2,3,4,6,7,8,9-Octachlorodibenzofuran"@en ;
dbo:pubchem "38200"^^xsd:int ;
dbo:smiles "C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "RHIROFAGUQOFLU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "octachloordibenzofuraan"@nl , "octachloordibenzofuraan (ocdf)"@nl , " octachloordibenzofuraan"@nl , "octachloordibenzofuran"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_39001-02-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF135" ;
skos:prefLabel "1,2,3,4,6,7,8,9-octachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1246"^^xsd:int .
csc:UCKMPCXJQFINFW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29109 ;
dbo:casNumber "18496-25-8" ;
dbo:formula "S-2" ;
dbo:inchi "InChI=1S/S/q-2" ;
dbo:iupacName "Sulfide"@en ;
dbo:pubchem "29109"^^xsd:int ;
dbo:smiles "[S-2]" ;
dbp:inchikey "UCKMPCXJQFINFW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_C_040 , co:WAC_III_C_041 ;
skos:altLabel "sulfide (opgeloste en in zuur milieu oplosbare)"@nl ;
skos:broader csc:CHEMONTID_0000555 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "S" ;
skos:prefLabel "sulfide"@nl .
csc:IOQPZZOEVPZRBK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8143 ;
dbo:casNumber "68037-94-5" , "191113-89-0" , "111-86-4" ;
dbo:formula "C8H19N" ;
dbo:inchi "InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3" ;
dbo:iupacName "octan-1-amine"@en ;
dbo:pubchem "8143"^^xsd:int ;
dbo:smiles "CCCCCCCCN" ;
dbp:inchikey "IOQPZZOEVPZRBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoC8a" ;
skos:prefLabel "1-aminooctaan"@nl .
csc:WATWJIUSRGPENY-AKLPVKDBSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335317 ;
dbo:casNumber "14234-35-6" ;
dbo:formula "Sb" ;
dbo:inchi "InChI=1S/Sb/i1+3" ;
dbo:iupacName "antimony-125"@en ;
dbo:pubchem "6335317"^^xsd:int ;
dbo:smiles "[Sb]" ;
dbp:inchikey "WATWJIUSRGPENY-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb125" ;
skos:prefLabel "antimoon 125"@nl .
csc:YUGWDVYLFSETPE-JLHYYAGUSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6434488 ;
dbo:casNumber "98311-74-1" , "54406-48-3" , "96895-17-9" , "92836-82-3" ;
dbo:formula "C18H26O2" ;
dbo:inchi "InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3/b13-10+" ;
dbo:iupacName "[(E)-4-methylhept-4-en-1-yn-3-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "6434488"^^xsd:int ;
dbo:smiles "CCC=C(C)C(C#C)OC(=O)C1C(C1(C)C)C=C(C)C" ;
dbp:inchikey "YUGWDVYLFSETPE-JLHYYAGUSA-N" ;
skos:broader csc:CHEMONTID_0001563 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "emptn" ;
skos:prefLabel "empenthrin"@nl .
csc:YWBVHLJPRPCRSD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:43079 ;
dbo:casNumber "59756-60-4" ;
dbo:formula "C19H14F3NO" ;
dbo:inchi "InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3" ;
dbo:iupacName "1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one"@en ;
dbo:pubchem "43079"^^xsd:int ;
dbo:smiles "CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3" ;
dbp:inchikey "YWBVHLJPRPCRSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002317 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurdn" ;
skos:prefLabel "fluridon"@nl .
csc:WJNRPILHGGKWCK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4937 ;
dbo:casNumber "139-40-2" ;
dbo:formula "C9H16ClN5" ;
dbo:inchi "InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "4937"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C" ;
dbp:inchikey "WJNRPILHGGKWCK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:exactMatch wise:CAS_139-40-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propzne" ;
skos:prefLabel "propazine"@nl ;
vcs:vmmParameterId "279"^^xsd:int .
csc:UJBOOUHRTQVGRU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11567 ;
dbo:casNumber "625-96-7" , "591-24-2" , "24965-87-5" ;
dbo:formula "C7H12O" ;
dbo:inchi "InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3" ;
dbo:iupacName "3-methylcyclohexan-1-one"@en ;
dbo:pubchem "11567"^^xsd:int ;
dbo:smiles "CC1CCCC(=O)C1" ;
dbp:inchikey "UJBOOUHRTQVGRU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_007 , co:LUC_IV_012 ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "3-methylcyclohexanon"@nl .
csc:LEOCKULGXOQRTQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:33121 ;
dbo:casNumber "25637-99-4" , "22374-57-8" ;
dbo:formula "C12H18Br6" ;
dbo:inchi "InChI=1S/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2" ;
dbo:iupacName "1,3,5,7,9,11-hexabromocyclododecane"@en ;
dbo:pubchem "33121"^^xsd:int ;
dbo:smiles "C1C(CC(CC(CC(CC(CC1Br)Br)Br)Br)Br)Br" ;
dbp:inchikey "LEOCKULGXOQRTQ-UHFFFAOYSA-N" ;
skos:altLabel "som hbcd (technisch mengsel, niet-gespecif. broom-posities)"@nl ;
skos:broader csc:CHEMONTID_0001515 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HBCD" ;
skos:prefLabel "som HBCD (technisch mengsel, niet-gespecif. broom-posities)"@nl .
csc:BAPJBEWLBFYGME-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7294 ;
dbo:casNumber "96-33-3" , "102256-29-1" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" ;
dbo:iupacName "methyl prop-2-enoate"@en ;
dbo:pubchem "7294"^^xsd:int ;
dbo:smiles "COC(=O)C=C" ;
dbp:inchikey "BAPJBEWLBFYGME-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_004 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yaclt" ;
skos:prefLabel "methylacrylaat"@nl .
csc:FAOSYNUKPVJLNZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16996 ;
dbo:casNumber "2406-65-7" ;
dbo:formula "C4H12Sn" ;
dbo:inchi "InChI=1S/C4H9.Sn.3H/c1-3-4-2;;;;/h1,3-4H2,2H3;;;;" ;
dbo:iupacName "BUTYLSTANNANE"@en ;
dbo:pubchem "16996"^^xsd:int ;
dbo:smiles "CCCC[SnH3]" ;
dbp:inchikey "FAOSYNUKPVJLNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004150 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "monobutyltin"@nl .
csc:KRRBFUJMQBDDPR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:165872 ;
dbo:casNumber "71887-25-7" , "10442-39-4" ;
dbo:formula "C17H36N2" ;
dbo:inchi "InChI=1S/C16H36N.CN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;/q+1;-1" ;
dbo:iupacName "tetrabutylazanium cyanide"@en ;
dbo:pubchem "165872"^^xsd:int ;
dbo:smiles "CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N" ;
dbp:inchikey "KRRBFUJMQBDDPR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C4yNH4CN" ;
skos:prefLabel "tetrabutylammonium cyanide"@nl .
csc:FVAUCKIRQBBSSJ-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5238 ;
dbo:casNumber "61456-04-0" , "59216-98-7" , "41927-88-2" , "7681-82-5" ;
dbo:formula "INa" ;
dbo:inchi "InChI=1S/HI.Na/h1H;/q;+1/p-1" ;
dbo:iupacName "Sodium Iodide"@en ;
dbo:pubchem "5238"^^xsd:int ;
dbo:smiles "[Na+].[I-]" ;
dbp:inchikey "FVAUCKIRQBBSSJ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaI" ;
skos:prefLabel "natriumjodide"@nl .
csc:VIKNJXKGJWUCNN-XGXHKTLJSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6230 ;
dbo:casNumber "68-22-4" ;
dbo:formula "C20H26O2" ;
dbo:inchi "InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "6230"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34" ;
dbp:inchikey "VIKNJXKGJWUCNN-XGXHKTLJSA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "noretsrn" ;
skos:prefLabel "norethisteron"@nl .
csc:OZHJEQVYCBTHJT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6906 ;
dbo:casNumber "26101-97-3" , "87-83-2" ;
dbo:formula "C7H3Br5" ;
dbo:inchi "InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-methylbenzene"@en ;
dbo:pubchem "6906"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br" ;
dbp:inchikey "OZHJEQVYCBTHJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001098 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "pentabroomtolueen"@nl .
csc:JTUSORDQZVOEAZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38881 ;
dbo:casNumber "41464-51-1" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-8-3-1-2-6(12(8)17)7-4-10(15)11(16)5-9(7)14/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,3-dichlorophenyl)benzene"@en ;
dbo:pubchem "38881"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "JTUSORDQZVOEAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB97" ;
skos:prefLabel "2,2',3,4',5'-pentachloorbifenyl"@nl .
csc:CUDYYMUUJHLCGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25485 ;
dbo:casNumber "13588-28-8" , "112388-78-0" , "83730-60-3" , "197632-43-2" , "12002-35-6" , "104512-57-4" , "34590-94-8" ;
dbo:formula "C7H16O3" ;
dbo:inchi "InChI=1S/C7H16O3/c1-6(4-8)10-5-7(2)9-3/h6-8H,4-5H2,1-3H3" ;
dbo:iupacName "2-(2-methoxypropoxy)propan-1-ol"@en ;
dbo:pubchem "25485"^^xsd:int ;
dbo:smiles "CC(CO)OCC(C)OC" ;
dbp:inchikey "CUDYYMUUJHLCGZ-UHFFFAOYSA-N" ;
skos:altLabel "2-(2-methoxypropoxy)-1-propanol"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C1oxC3ox1C" , "DC3yegcC1yEt" ;
skos:prefLabel "dipropyleenglycolmonomethylether"@nl .
csc:JMIXTHMPTMXARZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:21964789 ;
dbo:casNumber "791563-89-8" ;
dbo:formula "C13HF27O3S" ;
dbo:inchi "InChI=1S/C13HF27O3S/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)44(41,42)43/h(H,41,42,43)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosafluorotridecane-1-sulfonic acid"@en ;
dbo:pubchem "21964789"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "JMIXTHMPTMXARZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFTrDS" ;
skos:prefLabel "Perfluor-n-tridecaansulfonzuur"@nl .
csc:QBAYIBZITZBSFO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67759 ;
dbo:casNumber "360-64-5" ;
dbo:formula "C8H6F3NO" ;
dbo:inchi "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" ;
dbo:iupacName "2-(Trifluoromethyl)benzamide"@en ;
dbo:pubchem "67759"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" ;
dbp:inchikey "QBAYIBZITZBSFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2TFC1yBenAd" ;
skos:prefLabel "2-trifluoromethylbenzamide"@nl .
csc:VYZAMTAEIAYCRO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II D5 'chroom en zijn verbindingen uitgedrukt in Cr' en 'chroom en chroomverbindingen, uitgedrukt als chroom (Cr)'"@nl , "VLAR II bijl. 4.4.2 'chroom en zijn verbindingen, uitgedrukt in Cr'"@nl , "VLAR III (D3, diverse art) 'Cr'"@nl ;
rdfs:seeAlso compound:23976 ;
dbo:casNumber "7440-47-3" , "19498-56-7" , "195161-82-1" , "188785-87-7" ;
dbo:formula "Cr" ;
dbo:inchi "InChI=1S/Cr" ;
dbo:iupacName "Chromium"@en ;
dbo:pubchem "23976"^^xsd:int ;
dbo:smiles "[Cr]" ;
dbp:inchikey "VYZAMTAEIAYCRO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "chroom"@nl , "chroom (cr)"@nl , "chroom, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "chroom en chroomverbindingen, uitgedrukt als chroom (Cr)"@nl ;
skos:exactMatch wise:CAS_7440-47-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cr" ;
skos:prefLabel "Chroom (Cr)"@nl ;
vcs:vmmParameterId "1929"^^xsd:int , "154"^^xsd:int , "155"^^xsd:int , "153"^^xsd:int .
csc:DAIIXVPKQATIMF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18505 ;
dbo:casNumber "3175-23-3" ;
dbo:formula "C3H5Cl3" ;
dbo:inchi "InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3" ;
dbo:iupacName "1,2,2-TRICHLOROPROPANE"@en ;
dbo:pubchem "18505"^^xsd:int ;
dbo:smiles "CC(CCl)(Cl)Cl" ;
dbp:inchikey "DAIIXVPKQATIMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "122TClC3a" ;
skos:prefLabel "1,2,2-trichloorpropaan"@nl .
csc:SPFYMRJSYKOXGV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71188 ;
dbo:casNumber "93106-60-6" ;
dbo:formula "C19H22FN3O3" ;
dbo:inchi "InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)" ;
dbo:iupacName "1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid"@en ;
dbo:pubchem "71188"^^xsd:int ;
dbo:smiles "CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F" ;
dbp:inchikey "SPFYMRJSYKOXGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "enrfxcne" ;
skos:prefLabel "enrofloxacine"@nl .
csc:KZBUYRJDOAKODT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR III (D3) 'chloorgas, uitgedrukt als Cl2'"@nl , "VLAR II (D5)"@nl , "VLAR III (D3) 'chloorgas'"@nl , "VLAR II bijl. 4.4.2 'chloorgas'"@nl , "VLAR III (D3) 'chloor, uitgedrukt als Cl2'"@nl , "VLAR II bijl. 2.5.1"@nl ;
rdfs:seeAlso compound:24526 ;
dbo:casNumber "7782-50-5" ;
dbo:formula "Cl2" ;
dbo:inchi "InChI=1S/Cl2/c1-2" ;
dbo:iupacName "Molecular chlorine"@en ;
dbo:pubchem "24526"^^xsd:int ;
dbo:smiles "ClCl" ;
dbp:inchikey "KZBUYRJDOAKODT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_002 ;
skos:altLabel "chloor"@nl ;
skos:broader csc:CHEMONTID_0000432 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cl2" ;
skos:prefLabel "dichloor"@nl .
csc:JZQKKSLKJUAGIC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4828 ;
dbo:casNumber "13523-86-9" , "21870-06-4" ;
dbo:formula "C14H20N2O2" ;
dbo:inchi "InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3" ;
dbo:iupacName "1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "4828"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=CC2=C1C=CN2)O" ;
dbp:inchikey "JZQKKSLKJUAGIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pindll" ;
skos:prefLabel "pindolol"@nl .
csc:KHSLHYAUZSPBIU-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23705 ;
dbo:casNumber "7281-04-1" ;
dbo:formula "C21H38BrN" ;
dbo:inchi "InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dodecyl-dimethylazanium bromide"@en ;
dbo:pubchem "23705"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]" ;
dbp:inchikey "KHSLHYAUZSPBIU-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003976 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DDBAB" ;
skos:prefLabel "dodecyldimethylbenzylammoniumbromide"@nl .
csc:WOWHHFRSBJGXCM-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8154 ;
dbo:casNumber "139272-33-6" , "79728-63-5" , "68002-63-1" , "112-02-7" , "53023-95-3" , "146909-27-5" ;
dbo:formula "C19H42ClN" ;
dbo:inchi "InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "hexadecyl-trimethylazanium chloride"@en ;
dbo:pubchem "8154"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]" ;
dbp:inchikey "WOWHHFRSBJGXCM-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C16ylTC1ylNH" ;
skos:prefLabel "hexadecyltrimethylammoniumchloride"@nl .
csc:ZUSHSDOEVHPTCU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:92316 ;
dbo:casNumber "40020-01-7" ;
dbo:formula "C10H7ClN2O" ;
dbo:inchi "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" ;
dbo:iupacName "6-chloro-3-phenyl-1H-pyridazin-4-one"@en ;
dbo:pubchem "92316"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl" ;
dbp:inchikey "ZUSHSDOEVHPTCU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdfl" ;
skos:prefLabel "pyridafol"@nl .
csc:QXJKBPAVAHBARF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:36242 ;
dbo:casNumber "68444-90-6" , "60120-20-9" , "32809-16-8" ;
dbo:formula "C13H11Cl2NO2" ;
dbo:inchi "InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3" ;
dbo:iupacName "3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione"@en ;
dbo:pubchem "36242"^^xsd:int ;
dbo:smiles "CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C" ;
dbp:inchikey "QXJKBPAVAHBARF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000303 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "procmdn" ;
skos:prefLabel "procymidon"@nl .
csc:XUKUURHRXDUEBC-KAYWLYCHSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:60823 ;
dbo:casNumber "134523-00-5" ;
dbo:formula "C33H35FN2O5" ;
dbo:inchi "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1" ;
dbo:iupacName "(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid"@en ;
dbo:pubchem "60823"^^xsd:int ;
dbo:smiles "CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4" ;
dbp:inchikey "XUKUURHRXDUEBC-KAYWLYCHSA-N" ;
skos:broader csc:CHEMONTID_0002695 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "atvttne" ;
skos:prefLabel "atorvastatine"@nl .
csc:SUKJFIGYRHOWBL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24340 ;
dbo:casNumber "7681-52-9" , "227453-69-2" , "8007-59-8" , "56172-57-7" ;
dbo:formula "ClNaO" ;
dbo:inchi "InChI=1S/ClO.Na/c1-2;/q-1;+1" ;
dbo:iupacName "SODIUM HYPOCHLORITE"@en ;
dbo:pubchem "24340"^^xsd:int ;
dbo:smiles "[O-]Cl.[Na+]" ;
dbp:inchikey "SUKJFIGYRHOWBL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaOCl" ;
skos:prefLabel "natriumhypochloriet"@nl .
csc:RWGFKTVRMDUZSP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7406 ;
dbo:casNumber "68333-89-1" , "144637-93-4" , "172867-64-0" , "56748-62-0" , "63849-49-0" , "98444-30-5" , "68411-37-0" , "9044-64-8" , "40494-15-3" , "58033-91-3" , "86090-91-7" , "9055-91-8" , "172641-48-4" , "60120-16-3" , "55465-00-4" , "60880-98-0" , "53112-49-5" , "39470-87-6" , "52932-49-7" , "57657-06-4" , "61584-90-5" , "61584-89-2" , "12627-11-1" , "51609-83-7" , "120037-99-2" , "98-82-8" , "51609-87-1" , "11120-46-0" , "105270-05-1" , "56451-72-0" , "117079-77-3" , "53986-84-8" , "55128-06-8" , "68553-94-6" , "60328-46-3" , "54596-41-7" , "81834-12-0" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" ;
dbo:iupacName "cumene"@en ;
dbo:pubchem "7406"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=CC=C1" ;
dbp:inchikey "RWGFKTVRMDUZSP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_001 , co:LUC_IV_000 , co:LUC_IV_011 ;
skos:altLabel "isopropylbenzeen"@nl , "isopropylbenzeen (cumeen)"@nl ;
skos:broader csc:CHEMONTID_0000355 ;
skos:exactMatch wise:CAS_98-82-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cumn" ;
skos:prefLabel "cumeen"@nl ;
vcs:vmmParameterId "221"^^xsd:int .
csc:CUONGYYJJVDODC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8010 ;
dbo:casNumber "109-77-3" , "144804-99-9" ;
dbo:formula "C3H2N2" ;
dbo:inchi "InChI=1S/C3H2N2/c4-2-1-3-5/h1H2" ;
dbo:iupacName "Propanedinitrile"@en ;
dbo:pubchem "8010"^^xsd:int ;
dbo:smiles "C(C#N)C#N" ;
dbp:inchikey "CUONGYYJJVDODC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malnntl" ;
skos:prefLabel "malononitril"@nl .
csc:GUBGYTABKSRVRQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:294 ;
dbo:casNumber "13360-52-6" , "63-42-3" , "69-79-4" , "16462-44-5" , "528-50-7" ;
dbo:formula "C12H22O11" ;
dbo:inchi "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2" ;
dbo:iupacName "2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol"@en ;
dbo:pubchem "294"^^xsd:int ;
dbo:smiles "C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O" ;
dbp:inchikey "GUBGYTABKSRVRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002207 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lactse" ;
skos:prefLabel "lactose"@nl .
csc:LLWADFLAOKUBDR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7207 ;
dbo:casNumber "94-81-5" ;
dbo:formula "C11H13ClO3" ;
dbo:inchi "InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)" ;
dbo:iupacName "4-(4-Chloro-2-methylphenoxy)butanoic acid"@en ;
dbo:pubchem "7207"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OCCCC(=O)O" ;
dbp:inchikey "LLWADFLAOKUBDR-UHFFFAOYSA-N" ;
skos:altLabel "4-(4-chloor-2-methylfenoxy)boterzuur"@nl , "4-(4-chloro-2-methylfenoxy)boterzuur (mcpb)"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:exactMatch wise:CAS_94-81-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCPB" ;
skos:prefLabel "2-methyl-4-chloorfenoxyboterzuur"@nl ;
vcs:vmmParameterId "507"^^xsd:int .
csc:FDIPWBUDOCPIMH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3032831 ;
dbo:casNumber "27157-66-0" ;
dbo:formula "C16H26O" ;
dbo:inchi "InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14,17H,2-9,12H2,1H3" ;
dbo:iupacName "2-decylphenol"@en ;
dbo:pubchem "3032831"^^xsd:int ;
dbo:smiles "CCCCCCCCCCC1=CC=CC=C1O" ;
dbp:inchikey "FDIPWBUDOCPIMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "decylfenol"@nl .
csc:HEMJJKBWTPKOJG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3463 ;
dbo:casNumber "25812-30-0" ;
dbo:formula "C15H22O3" ;
dbo:inchi "InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)" ;
dbo:iupacName "5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid"@en ;
dbo:pubchem "3463"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O" ;
dbp:inchikey "HEMJJKBWTPKOJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gemfbzl" ;
skos:prefLabel "gemfibrozil"@nl .
csc:HZHFFEYYPYZMNU-UHFFFAOYSA-K
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:153921 ;
dbo:casNumber "131410-48-5" ;
dbo:formula "C16H26GdN5O8" ;
dbo:inchi "InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3" ;
dbo:iupacName "2-[bis[2-[(2-methylamino-2-oxoethyl)-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation"@en ;
dbo:pubchem "153921"^^xsd:int ;
dbo:smiles "CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]" ;
dbp:inchikey "HZHFFEYYPYZMNU-UHFFFAOYSA-K" ;
skos:broader csc:CHEMONTID_0002309 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gaddamde" ;
skos:prefLabel "gadodiamide"@nl .
csc:FWWQKRXKHIRPJY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12533 ;
dbo:casNumber "638-66-4" ;
dbo:formula "C18H36O" ;
dbo:inchi "InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3" ;
dbo:iupacName "Octadecanal"@en ;
dbo:pubchem "12533"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC=O" ;
dbp:inchikey "FWWQKRXKHIRPJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18al" ;
skos:prefLabel "octadecanal"@nl .
csc:RECUKUPTGUEGMW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10364 ;
dbo:casNumber "499-75-2" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3" ;
dbo:iupacName "2-methyl-5-propan-2-ylphenol"@en ;
dbo:pubchem "10364"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)C(C)C)O" ;
dbp:inchikey "RECUKUPTGUEGMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5iC3y2C1yFol" ;
skos:prefLabel "5-isopropyl-2-methylfenol"@nl .
csc:VAIZTNZGPYBOGF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:50897 ;
dbo:casNumber "69806-50-4" , "86334-14-7" ;
dbo:formula "C19H20F3NO4" ;
dbo:inchi "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3" ;
dbo:iupacName "butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "50897"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "VAIZTNZGPYBOGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazfC4y" ;
skos:prefLabel "fluazifop-butyl"@nl .
csc:JANBFCARANRIKJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:69059 ;
dbo:casNumber "605-50-5" ;
dbo:formula "C18H26O4" ;
dbo:inchi "InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3" ;
dbo:iupacName "bis(3-methylbutyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "69059"^^xsd:int ;
dbo:smiles "CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C" ;
dbp:inchikey "JANBFCARANRIKJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "di-isopentylftalaat"@nl .
csc:ZDYYWMSLMLTXDM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14550408 ;
dbo:casNumber "57677-95-9" ;
dbo:formula "C16H9F26O4P" ;
dbo:inchi "InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)" ;
dbo:iupacName "bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate"@en ;
dbo:pubchem "14550408"^^xsd:int ;
dbo:smiles "C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "ZDYYWMSLMLTXDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6:2 diPAP" ;
skos:prefLabel "6:2 fluortelomeerfosfaat diester"@nl .
csc:OORLZFUTLGXMEF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86369 ;
dbo:casNumber "111991-58-3" , "122836-35-5" ;
dbo:formula "C11H10Cl2F2N4O3S" ;
dbo:inchi "InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3" ;
dbo:iupacName "N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide"@en ;
dbo:pubchem "86369"^^xsd:int ;
dbo:smiles "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl" ;
dbp:inchikey "OORLZFUTLGXMEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfntzn" ;
skos:prefLabel "sulfentrazon"@nl .
csc:LMKQNTMFZLAJDV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:108201 ;
dbo:casNumber "30125-63-4" ;
dbo:formula "C7H12ClN5" ;
dbo:inchi "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" ;
dbo:iupacName "N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "108201"^^xsd:int ;
dbo:smiles "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" ;
dbp:inchikey "LMKQNTMFZLAJDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001693 ;
skos:exactMatch wise:CAS_30125-63-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desC2ytC4yaz" ;
skos:prefLabel "desethylterbutylazine"@nl ;
vcs:vmmParameterId "1392"^^xsd:int .
csc:UUSQFLGKGQEVCM-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29563 ;
dbo:casNumber "19379-90-9" ;
dbo:formula "C23H42ClNO2" ;
dbo:inchi "InChI=1S/C23H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dodecyl-bis(2-hydroxyethyl)azanium chloride"@en ;
dbo:pubchem "29563"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "UUSQFLGKGQEVCM-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzxnuCl" ;
skos:prefLabel "benzoxoniumchloride"@nl .
csc:LWHQXUODFPPQTL-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:67637 ;
dbo:casNumber "335-95-5" ;
dbo:formula "C8F15NaO2" ;
dbo:inchi "InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1" ;
dbo:iupacName "sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate"@en ;
dbo:pubchem "67637"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+]" ;
dbp:inchikey "LWHQXUODFPPQTL-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA_Na" ;
skos:prefLabel "perfluoroctaanzuur, natriumzout"@nl .
csc:QIGBRXMKCJKVMJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:785 ;
dbo:casNumber "123-31-9" , "57534-13-1" , "8027-02-9" ;
dbo:formula "C6H6O2" ;
dbo:inchi "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H" ;
dbo:iupacName "Benzene-1,4-diol"@en ;
dbo:pubchem "785"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1O)O" ;
dbp:inchikey "QIGBRXMKCJKVMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000136 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DHOxBen" ;
skos:prefLabel "1,4-dihydroxybenzeen"@nl .
csc:BERQWQSQOIEUMA-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:88066 ;
dbo:casNumber "19437-42-4" ;
dbo:formula "C10H7NaO9S3" ;
dbo:inchi "InChI=1S/C10H8O9S3.Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1" ;
dbo:iupacName "sodium 3,6-disulfonaphthalene-1-sulfonate"@en ;
dbo:pubchem "88066"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "BERQWQSQOIEUMA-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf136TsfntN" ;
skos:prefLabel "naftaleen-1,3,6-trisulfonaat,natriumzout"@nl .
csc:YERASKROMPMIBM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62310 ;
dbo:casNumber "111512-56-2" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(5,7)1(6)3(8,9)10/h1H" ;
dbo:iupacName "1,1-DICHLORO-1,2,3,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "62310"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(C(F)(Cl)Cl)F" ;
dbp:inchikey "YERASKROMPMIBM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225eb" ;
skos:prefLabel "1,1-dichloor-1,2,3,3,3-pentafluorpropaan"@nl .
csc:OPASCBHCTNRLRM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12541 ;
dbo:casNumber "640-15-3" ;
dbo:formula "C6H15O2PS3" ;
dbo:inchi "InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3" ;
dbo:iupacName "2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "12541"^^xsd:int ;
dbo:smiles "CCSCCSP(=S)(OC)OC" ;
dbp:inchikey "OPASCBHCTNRLRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tomtn" ;
skos:prefLabel "thiometon"@nl .
csc:OJYGBLRPYBAHRT-OPKHMCHVSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27525 ;
dbo:casNumber "15879-93-3" ;
dbo:formula "C8H11Cl3O6" ;
dbo:inchi "InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2?,3-,4+,5+,6?,7+/m0/s1" ;
dbo:iupacName "1-[(2R,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]ethane-1,2-diol"@en ;
dbo:pubchem "27525"^^xsd:int ;
dbo:smiles "C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O" ;
dbp:inchikey "OJYGBLRPYBAHRT-OPKHMCHVSA-N" ;
skos:broader csc:CHEMONTID_0001540 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chlorlse" ;
skos:prefLabel "chloralose"@nl .
csc:KEAYESYHFKHZAL-BJUDXGSMSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328543 ;
dbo:casNumber "13966-32-0" ;
dbo:formula "Na" ;
dbo:inchi "InChI=1S/Na/i1-1" ;
dbo:iupacName "sodium-22"@en ;
dbo:pubchem "6328543"^^xsd:int ;
dbo:smiles "[Na]" ;
dbp:inchikey "KEAYESYHFKHZAL-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na22" ;
skos:prefLabel "natrium 22"@nl .
csc:DUZVBQWEFKXWJM-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3053343 ;
dbo:casNumber "69806-34-4" , "69806-86-6" ;
dbo:formula "C15H10ClF3NNaO4" ;
dbo:inchi "InChI=1S/C15H11ClF3NO4.Na/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19;/h2-8H,1H3,(H,21,22);/q;+1/p-1" ;
dbo:iupacName "sodium 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "3053343"^^xsd:int ;
dbo:smiles "CC(C(=O)[O-])OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl.[Na+]" ;
dbp:inchikey "DUZVBQWEFKXWJM-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halOxfp" ;
skos:prefLabel "haloxyfop"@nl .
csc:ODLMAHJVESYWTB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7668 ;
dbo:casNumber "103-65-1" , "74296-31-4" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" ;
dbo:iupacName "Propylbenzene"@en ;
dbo:pubchem "7668"^^xsd:int ;
dbo:smiles "CCCC1=CC=CC=C1" ;
dbp:inchikey "ODLMAHJVESYWTB-UHFFFAOYSA-N" ;
skos:altLabel "n-propylbenzeen"@nl , "propylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_103-65-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3yBen" ;
skos:prefLabel "1-propylbenzeen"@nl ;
vcs:vmmParameterId "535"^^xsd:int .
csc:MTLMVEWEYZFYTH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:37247 ;
dbo:casNumber "35693-92-6" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H" ;
dbo:iupacName "1,3,5-trichloro-2-phenylbenzene"@en ;
dbo:pubchem "37247"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "MTLMVEWEYZFYTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB30" ;
skos:prefLabel "2,4,6-trichloorbifenyl"@nl .
csc:SDYWXFYBZPNOFX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7257 ;
dbo:casNumber "95-76-1" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2" ;
dbo:iupacName "3,4-Dichloroaniline"@en ;
dbo:pubchem "7257"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)Cl)Cl" ;
dbp:inchikey "SDYWXFYBZPNOFX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_95-76-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClAn" ;
skos:prefLabel "3,4-dichlooraniline"@nl ;
vcs:vmmParameterId "48"^^xsd:int .
csc:YNJBWRMUSHSURL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6421 ;
dbo:casNumber "76-03-9" ;
dbo:formula "C2HCl3O2" ;
dbo:inchi "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" ;
dbo:iupacName "2,2,2-trichloroacetic acid"@en ;
dbo:pubchem "6421"^^xsd:int ;
dbo:smiles "C(=O)(C(Cl)(Cl)Cl)O" ;
dbp:inchikey "YNJBWRMUSHSURL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClHAc" ;
skos:prefLabel "trichloorazijnzuur"@nl .
csc:XGXUGXPKRBQINS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27011 ;
dbo:casNumber "21702-84-1" ;
dbo:formula "C7H6Br2O" ;
dbo:inchi "InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3" ;
dbo:iupacName "2,4-dibromo-1-methoxybenzene"@en ;
dbo:pubchem "27011"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)Br)Br" ;
dbp:inchikey "XGXUGXPKRBQINS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DBransl" ;
skos:prefLabel "2,4-dibroomanisol"@nl .
csc:ADAKRBAJFHTIEW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7693 ;
dbo:casNumber "104-12-1" ;
dbo:formula "C7H4ClNO" ;
dbo:inchi "InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H" ;
dbo:iupacName "1-Chloro-4-isocyanatobenzene"@en ;
dbo:pubchem "7693"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N=C=O)Cl" ;
dbp:inchikey "ADAKRBAJFHTIEW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pClFyiCN" ;
skos:prefLabel "p-chloorfenylisocyanaat"@nl .
csc:UMFJAHHVKNCGLG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6124 ;
dbo:casNumber "62-75-9" ;
dbo:formula "C2H6N2O" ;
dbo:inchi "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3" ;
dbo:iupacName "N,N-dimethylnitrous amide"@en ;
dbo:pubchem "6124"^^xsd:int ;
dbo:smiles "CN(C)N=O" ;
dbp:inchikey "UMFJAHHVKNCGLG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yNOAe" ;
skos:prefLabel "dimethylnitrosamine"@nl .
csc:HAWPXGHAZFHHAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4033 ;
dbo:casNumber "51-75-2" ;
dbo:formula "C5H11Cl2N" ;
dbo:inchi "InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3" ;
dbo:iupacName "2-Chloro-N-(2-chloroethyl)-N-methylethanamine"@en ;
dbo:pubchem "4033"^^xsd:int ;
dbo:smiles "CN(CCCl)CCCl" ;
dbp:inchikey "HAWPXGHAZFHHAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000398 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mustne" ;
skos:prefLabel "mustine"@nl .
csc:VWGNQYSIWFHEQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33772 ;
dbo:casNumber "26880-48-8" , "27304-13-8" ;
dbo:formula "C10H4Cl8O" ;
dbo:inchi "InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H" ;
dbo:iupacName "1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene"@en ;
dbo:pubchem "33772"^^xsd:int ;
dbo:smiles "C12C(C(C3(C1O3)Cl)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "VWGNQYSIWFHEQU-UHFFFAOYSA-N" ;
skos:altLabel "oxychlordaan"@nl ;
skos:broader csc:CHEMONTID_0002012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OxCldn" ;
skos:prefLabel "oxychloordaan"@nl .
csc:QWBBPBRQALCEIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10687 ;
dbo:casNumber "526-75-0" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3" ;
dbo:iupacName "2,3-Dimethylphenol"@en ;
dbo:pubchem "10687"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)O)C" ;
dbp:inchikey "QWBBPBRQALCEIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:exactMatch wise:CAS_526-75-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yFol" ;
skos:prefLabel "2,3-dimethylfenol"@nl ;
vcs:vmmParameterId "698"^^xsd:int .
csc:HEWZVZIVELJPQZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6495 ;
dbo:casNumber "77-76-9" ;
dbo:formula "C5H12O2" ;
dbo:inchi "InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3" ;
dbo:iupacName "2,2-Dimethoxypropane"@en ;
dbo:pubchem "6495"^^xsd:int ;
dbo:smiles "CC(C)(OC)OC" ;
dbp:inchikey "HEWZVZIVELJPQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DC1oxC3a" ;
skos:prefLabel "2,2-dimethoxypropaan"@nl .
csc:BOSMZFBHAYFUBJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6529 ;
dbo:casNumber "1330-78-5" , "78-32-0" ;
dbo:formula "C21H21O4P" ;
dbo:inchi "InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3" ;
dbo:iupacName "tris(4-methylphenyl) phosphate"@en ;
dbo:pubchem "6529"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C" ;
dbp:inchikey "BOSMZFBHAYFUBJ-UHFFFAOYSA-N" ;
skos:altLabel "tri-p-cresylfosfaat"@nl ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TcsPO4" , "TpcsPO4" ;
skos:prefLabel "tricresylfosfaat"@nl .
csc:PGIBJVOPLXHHGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6788 ;
dbo:casNumber "84-77-5" ;
dbo:formula "C28H46O4" ;
dbo:inchi "InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3" ;
dbo:iupacName "didecyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6788"^^xsd:int ;
dbo:smiles "CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC" ;
dbp:inchikey "PGIBJVOPLXHHGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC10yFt" ;
skos:prefLabel "didecylftalaat"@nl .
csc:UQSXHKLRYXJYBZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14945 ;
dbo:casNumber "1345-25-1" ;
dbo:formula "FeO" ;
dbo:inchi "InChI=1S/Fe.O" ;
dbo:iupacName "oxoiron"@en ;
dbo:pubchem "14945"^^xsd:int ;
dbo:smiles "O=[Fe]" ;
dbp:inchikey "UQSXHKLRYXJYBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeO" ;
skos:prefLabel "ijzeroxide"@nl .
csc:DTCJYIIKPVRVDD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16007 ;
dbo:casNumber "1929-88-0" ;
dbo:formula "C9H9N3OS" ;
dbo:inchi "InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)" ;
dbo:iupacName "1-(1,3-Benzothiazol-2-yl)-3-methylurea"@en ;
dbo:pubchem "16007"^^xsd:int ;
dbo:smiles "CNC(=O)NC1=NC2=CC=CC=C2S1" ;
dbp:inchikey "DTCJYIIKPVRVDD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benztazrn" ;
skos:prefLabel "benzthiazuron"@nl .
csc:XSXWOBXNYNULJG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62530 ;
dbo:casNumber "30105-54-5" , "209859-96-1" , "3884-95-5" , "62744-41-6" , "27193-28-8" , "29932-96-5" , "1322-69-6" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9,15H,10H2,1-5H3" ;
dbo:iupacName "2-(2,4,4-trimethylpentan-2-yl)phenol"@en ;
dbo:pubchem "62530"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=CC=C1O" ;
dbp:inchikey "XSXWOBXNYNULJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sttC8yFol" ;
skos:prefLabel "som tertiair-octylfenol-isomeren"@nl .
csc:IZFZCMFMJKDHJZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91625 ;
dbo:casNumber "37893-02-0" ;
dbo:formula "C17H10F6N4S" ;
dbo:inchi "InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "N2,3-di(phenyl)-N4,N5-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine"@en ;
dbo:pubchem "91625"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N=C2N(C(=NC(F)(F)F)C(=NC(F)(F)F)S2)C3=CC=CC=C3" ;
dbp:inchikey "IZFZCMFMJKDHJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flubzmne" ;
skos:prefLabel "flubenzimine"@nl .
csc:SXZSFWHOSHAKMN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:53036 ;
dbo:casNumber "74472-37-0" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "53036"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "SXZSFWHOSHAKMN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,4,4',5-pentachloorbifenyl (pcb114)"@nl , "pcb 114"@nl , "PCB 114"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_74472-37-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB114" ;
skos:prefLabel "2,3,4,4',5-pentachloorbifenyl"@nl ;
vcs:vmmParameterId "1371"^^xsd:int .
csc:RTZKZFJDLAIYFH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:3283 ;
dbo:casNumber "70131-58-7" , "69013-19-0" , "69227-20-9" , "74446-43-8" , "7578-39-4" , "71011-10-4" , "68991-48-0" , "60-29-7" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" ;
dbo:iupacName "Ethoxyethane"@en ;
dbo:pubchem "3283"^^xsd:int ;
dbo:smiles "CCOCC" ;
dbp:inchikey "RTZKZFJDLAIYFH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_008 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:altLabel "diethylether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yEtr" ;
skos:prefLabel "di-ethylether"@nl .
csc:GUCVJGMIXFAOAE-OUBTZVSYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115134 ;
dbo:casNumber "14681-63-1" ;
dbo:formula "Nb" ;
dbo:inchi "InChI=1S/Nb/i1+1" ;
dbo:iupacName "niobium-94"@en ;
dbo:pubchem "115134"^^xsd:int ;
dbo:smiles "[Nb]" ;
dbp:inchikey "GUCVJGMIXFAOAE-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nb94" ;
skos:prefLabel "niobium 94"@nl .
csc:LRWHHSXTGZSMSN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9271 ;
dbo:casNumber "297-78-9" ;
dbo:formula "C9H4Cl8O" ;
dbo:inchi "InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H" ;
dbo:iupacName "1,3,5,7,8,9,10,10-octachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene"@en ;
dbo:pubchem "9271"^^xsd:int ;
dbo:smiles "C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "LRWHHSXTGZSMSN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002648 ;
skos:exactMatch wise:CAS_297-78-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "teldn" ;
skos:prefLabel "telodrin"@nl ;
vcs:vmmParameterId "265"^^xsd:int .
csc:PUGBZUWUTZUUCP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86509 ;
dbo:casNumber "516-78-9" , "17105-75-8" ;
dbo:formula "C28H48O" ;
dbo:inchi "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3" ;
dbo:iupacName "17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "86509"^^xsd:int ;
dbo:smiles "CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C" ;
dbp:inchikey "PUGBZUWUTZUUCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001403 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gergsnl" ;
skos:prefLabel "gamma-ergostenol"@nl .
csc:RRAMGCGOFNQTLD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13192 ;
dbo:casNumber "66368-96-5" , "63525-90-6" , "243121-01-9" , "57350-77-3" , "88357-62-4" , "822-06-0" , "133394-59-9" , "280144-19-6" , "53192-27-1" ;
dbo:formula "C8H12N2O2" ;
dbo:inchi "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" ;
dbo:iupacName "1,6-Diisocyanatohexane"@en ;
dbo:pubchem "13192"^^xsd:int ;
dbo:smiles "C(CCCN=C=O)CCN=C=O" ;
dbp:inchikey "RRAMGCGOFNQTLD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000501 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yeDiCN" ;
skos:prefLabel "hexamethyleendiisocyanaat"@nl .
csc:NAWDYIZEMPQZHO-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:161018 ;
dbo:casNumber "14041-44-2" ;
dbo:formula "Yb" ;
dbo:inchi "InChI=1S/Yb/i1+2" ;
dbo:iupacName "ytterbium-175"@en ;
dbo:pubchem "161018"^^xsd:int ;
dbo:smiles "[Yb]" ;
dbp:inchikey "NAWDYIZEMPQZHO-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Yb175" ;
skos:prefLabel "ytterbium 175"@nl .
csc:DOULWWSSZVEPIN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:182167 ;
dbo:casNumber "34123-57-4" ;
dbo:formula "C11H16N2O" ;
dbo:inchi "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" ;
dbo:iupacName "3-methyl-1-(4-propan-2-ylphenyl)urea"@en ;
dbo:pubchem "182167"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)NC(=O)NC" ;
dbp:inchikey "DOULWWSSZVEPIN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14iC3yFy3C1y" ;
skos:prefLabel "1-(4-isopropylfenyl)-3-methylureum"@nl .
csc:IDQHRQQSSQDLTR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19113 ;
dbo:casNumber "3567-62-2" ;
dbo:formula "C8H8Cl2N2O" ;
dbo:inchi "InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)" ;
dbo:iupacName "1-(3,4-Dichlorophenyl)-3-methylurea"@en ;
dbo:pubchem "19113"^^xsd:int ;
dbo:smiles "CNC(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "IDQHRQQSSQDLTR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "134DClFy3C1y" ;
skos:prefLabel "1-(3,4-dichloorfenyl)-3-methylureum"@nl .
csc:NCMLSPGQECDTSJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
dbo:casNumber "56-36-0" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/3C4H9.C2H3O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3;" ;
dbo:iupacName "Tributylstannyl acetate"@en ;
dbo:smiles "0" ;
dbp:inchikey "NCMLSPGQECDTSJ-UHFFFAOYSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4ySnactt" ;
skos:prefLabel "tributyltinacetaat"@nl .
csc:CNYGFPPAGUCRIC-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2724411 ;
dbo:casNumber "2437-29-8" ;
dbo:formula "C52H54N4O12" ;
dbo:inchi "InChI=1S/2C23H25N2.3C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(H,3,4)(H,5,6)/q2*+1;;;/p-2" ;
dbo:iupacName "[4-[(4-dimethylaminophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylazanium; 2-hydroxy-2-oxoacetate; oxalic acid"@en ;
dbo:pubchem "2724411"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O" ;
dbp:inchikey "CNYGFPPAGUCRIC-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malcgoxlt" ;
skos:prefLabel "malachietgroen-oxalaat"@nl .
csc:GXPIUNZCALHVBA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:65280 ;
dbo:casNumber "21312-10-7" ;
dbo:formula "C12H13N3O4S" ;
dbo:inchi "InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)" ;
dbo:iupacName "N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide"@en ;
dbo:pubchem "65280"^^xsd:int ;
dbo:smiles "CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C" ;
dbp:inchikey "GXPIUNZCALHVBA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actsfmtozl" ;
skos:prefLabel "acetylsulfamethoxazol"@nl .
csc:DQMZLTXERSFNPB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4909 ;
dbo:casNumber "125-33-7" ;
dbo:formula "C12H14N2O2" ;
dbo:inchi "InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)" ;
dbo:iupacName "5-ethyl-5-phenyl-1,3-diazinane-4,6-dione"@en ;
dbo:pubchem "4909"^^xsd:int ;
dbo:smiles "CCC1(C(=O)NCNC1=O)C2=CC=CC=C2" ;
dbp:inchikey "DQMZLTXERSFNPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002202 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "primdn" ;
skos:prefLabel "primidon"@nl .
csc:UNAHYJYOSSSJHH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29393 ;
dbo:casNumber "19044-88-3" ;
dbo:formula "C12H18N4O6S" ;
dbo:inchi "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" ;
dbo:iupacName "4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide"@en ;
dbo:pubchem "29393"^^xsd:int ;
dbo:smiles "CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]" ;
dbp:inchikey "UNAHYJYOSSSJHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "orzln" ;
skos:prefLabel "oryzalin"@nl .
csc:YWFWDNVOPHGWMX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8168 ;
dbo:casNumber "83855-86-1" , "52622-54-5" , "68391-04-8" , "112-18-5" , "68390-97-6" ;
dbo:formula "C14H31N" ;
dbo:inchi "InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3" ;
dbo:iupacName "N,N-dimethyldodecan-1-amine"@en ;
dbo:pubchem "8168"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCN(C)C" ;
dbp:inchikey "YWFWDNVOPHGWMX-UHFFFAOYSA-N" ;
skos:altLabel "n,n-dimethyl-1-dodecaanamine"@nl ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC1y1C12aA" ;
skos:prefLabel "N,N-dimethyl-1-dodecaanamine"@nl .
csc:FCMVPUGRXPEIQX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:98482 ;
dbo:casNumber "5202-36-8" , "2440-02-0" ;
dbo:formula "C7H3Cl7" ;
dbo:inchi "InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h2H,1H2" ;
dbo:iupacName "1,2,3,4,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene"@en ;
dbo:pubchem "98482"^^xsd:int ;
dbo:smiles "C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "FCMVPUGRXPEIQX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1234577HpClb" ;
skos:prefLabel "1,2,3,4,5,7,7-heptachloor-bicyclo(2.2.1)-2-hepteen"@nl .
csc:AFABGHUZZDYHJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7892 ;
dbo:casNumber "73513-42-5" , "107-83-5" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" ;
dbo:iupacName "2-Methylpentane"@en ;
dbo:pubchem "7892"^^xsd:int ;
dbo:smiles "CCCC(C)C" ;
dbp:inchikey "AFABGHUZZDYHJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC5a" ;
skos:prefLabel "2-methylpentaan"@nl .
csc:ORLOBEXOFQEWFQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104820 ;
dbo:casNumber "39895-81-3" ;
dbo:formula "C5H14AsO+" ;
dbo:inchi "InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" ;
dbo:iupacName "2-hydroxyethyl-trimethylarsanium"@en ;
dbo:pubchem "104820"^^xsd:int ;
dbo:smiles "C[As+](C)(C)CCO" ;
dbp:inchikey "ORLOBEXOFQEWFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004280 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "arsenocholine"@nl .
csc:LAAVYEUJEMRIGF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7869 ;
dbo:casNumber "107-40-4" ;
dbo:formula "C8H16" ;
dbo:inchi "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" ;
dbo:iupacName "2,4,4-Trimethylpent-2-ene"@en ;
dbo:pubchem "7869"^^xsd:int ;
dbo:smiles "CC(=CC(C)(C)C)C" ;
dbp:inchikey "LAAVYEUJEMRIGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "244TC1y2C5e" ;
skos:prefLabel "2,4,4-trimethyl-2-penteen"@nl .
csc:CNCOEDDPFOAUMB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13543 ;
dbo:casNumber "90456-67-0" , "194091-52-6" , "924-42-5" , "176598-18-8" , "160278-55-7" ;
dbo:formula "C4H7NO2" ;
dbo:inchi "InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)" ;
dbo:iupacName "N-(hydroxymethyl)prop-2-enamide"@en ;
dbo:pubchem "13543"^^xsd:int ;
dbo:smiles "C=CC(=O)NCO" ;
dbp:inchikey "CNCOEDDPFOAUMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004450 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1olacAd" ;
skos:prefLabel "methanolacrylamide"@nl .
csc:FDQQNNZKEJIHMS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10696 ;
dbo:casNumber "527-54-8" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3" ;
dbo:iupacName "3,4,5-Trimethylphenol"@en ;
dbo:pubchem "10696"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1C)C)O" ;
dbp:inchikey "FDQQNNZKEJIHMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001275 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "345TC1yFol" ;
skos:prefLabel "3,4,5-trimethylfenol"@nl .
csc:JVZREVRTMWNFME-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:80210 ;
dbo:casNumber "80856-39-9" , "375-85-9" , "6130-43-4" ;
dbo:formula "C7H4F13NO2" ;
dbo:inchi "InChI=1S/C7HF13O2.H3N/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20;/h(H,21,22);1H3" ;
dbo:iupacName "azane; 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid"@en ;
dbo:pubchem "80210"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.N" ;
dbp:inchikey "JVZREVRTMWNFME-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-heptaanzuur"@nl , "perfluorheptaanzuur"@nl , "perfluorheptaanzuur (pfhpa)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFHpA" ;
skos:prefLabel "perfluor-n-heptaanzuur (pfhpa)"@nl .
csc:NWLUZGJDEZBBRH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19920 ;
dbo:casNumber "126753-03-5" , "4016-14-2" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "2-(propan-2-yloxymethyl)oxirane"@en ;
dbo:pubchem "19920"^^xsd:int ;
dbo:smiles "CC(C)OCC1CO1" ;
dbp:inchikey "NWLUZGJDEZBBRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yDgcdE" ;
skos:prefLabel "iso-propylglycidylether"@nl .
csc:BXWNKGSJHAJOGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2682 ;
dbo:casNumber "55069-45-9" , "36653-82-4" , "8014-51-5" , "8032-89-1" , "124-29-8" , "8023-37-8" , "8032-16-4" , "36311-34-9" , "8032-17-5" ;
dbo:formula "C16H34O" ;
dbo:inchi "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" ;
dbo:iupacName "Hexadecan-1-ol"@en ;
dbo:pubchem "2682"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCO" ;
dbp:inchikey "BXWNKGSJHAJOGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002951 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C16ol" ;
skos:prefLabel "1-hexadecanol"@nl .
csc:JRBJSXQPQWSCCF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8411 ;
dbo:casNumber "119-90-4" , "59777-10-5" ;
dbo:formula "C14H16N2O2" ;
dbo:inchi "InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3" ;
dbo:iupacName "4-(4-amino-3-methoxyphenyl)-2-methoxyaniline"@en ;
dbo:pubchem "8411"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N" ;
dbp:inchikey "JRBJSXQPQWSCCF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1oxbzdne" ;
skos:prefLabel "3,3'-dimethoxybenzidine"@nl .
csc:NFCRBQADEGXVDL-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:22324 ;
dbo:casNumber "6004-24-6" ;
dbo:formula "C21H40ClNO" ;
dbo:inchi "InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1" ;
dbo:iupacName "1-hexadecylpyridin-1-ium chloride hydrate"@en ;
dbo:pubchem "22324"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]" ;
dbp:inchikey "NFCRBQADEGXVDL-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001764 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C16yprdnClH" ;
skos:prefLabel "1-hexadecylpyridinium chloride monohydraat"@nl .
csc:NWBJYWHLCVSVIJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62389 ;
dbo:casNumber "3458-19-3" , "1214-39-7" , "124786-41-0" ;
dbo:formula "C12H11N5" ;
dbo:inchi "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" ;
dbo:iupacName "N-(phenylmethyl)-7H-purin-6-amine"@en ;
dbo:pubchem "62389"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" ;
dbp:inchikey "NWBJYWHLCVSVIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003454 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzadnne" ;
skos:prefLabel "benzyladenine"@nl .
csc:FWCBATIDXGJRMF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:72085 ;
dbo:casNumber "28300-95-0" , "49813-52-7" , "131400-21-0" , "136881-53-3" , "64040-42-2" , "59795-40-3" , "129607-69-8" , "3768-13-6" , "27708-72-1" , "36058-05-6" , "26996-98-5" , "18467-77-1" , "72349-14-5" ;
dbo:formula "C12H18O7" ;
dbo:inchi "InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)" ;
dbo:iupacName "4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid"@en ;
dbo:pubchem "72085"^^xsd:int ;
dbo:smiles "CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C" ;
dbp:inchikey "FWCBATIDXGJRMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dikglc" ;
skos:prefLabel "dikegulac"@nl .
csc:ZNPSUQQXTRRSBM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:26975 ;
dbo:casNumber "65916-15-6" , "14938-35-3" ;
dbo:formula "C11H16O" ;
dbo:inchi "InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3" ;
dbo:iupacName "4-PENTYLPHENOL"@en ;
dbo:pubchem "26975"^^xsd:int ;
dbo:smiles "CCCCCC1=CC=C(C=C1)O" ;
dbp:inchikey "ZNPSUQQXTRRSBM-UHFFFAOYSA-N" ;
skos:altLabel "4-n-pentylfenol"@nl ;
skos:broader csc:CHEMONTID_0004646 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C5yFt" ;
skos:prefLabel "4-pentylfenol"@nl .
csc:HYWZIAVPBSTISZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:67636 ;
dbo:casNumber "335-77-3" ;
dbo:formula "C10HF21O3S" ;
dbo:inchi "InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid"@en ;
dbo:pubchem "67636"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "HYWZIAVPBSTISZ-UHFFFAOYSA-N" ;
skos:altLabel "perfluordecaansulfonzuur (pfds)"@nl , "perfluor-n-decaansulfonzuur (pfds)"@nl , "perfluor-1-decaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "L_PFDS" , "PFDS" ;
skos:prefLabel "perfluor-n-decaansulfonzuur"@nl .
csc:WKBPZYKAUNRMKP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91693 ;
dbo:casNumber "87501-25-5" , "66246-88-6" ;
dbo:formula "C13H15Cl2N3" ;
dbo:inchi "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole"@en ;
dbo:pubchem "91693"^^xsd:int ;
dbo:smiles "CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "WKBPZYKAUNRMKP-UHFFFAOYSA-N" ;
skos:altLabel "penconazool"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_66246-88-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pencnzl" ;
skos:prefLabel "penconazole"@nl ;
vcs:vmmParameterId "1031"^^xsd:int .
csc:TVFJAZCVMOXQRK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:162097 ;
dbo:casNumber "51000-52-3" , "17756-73-9" ;
dbo:formula "C12H22O2" ;
dbo:inchi "InChI=1S/C12H22O2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5H,1,6-10H2,2-4H3" ;
dbo:iupacName "ethenyl 7,7-dimethyloctanoate"@en ;
dbo:pubchem "162097"^^xsd:int ;
dbo:smiles "CC(C)(C)CCCCCC(=O)OC=C" ;
dbp:inchikey "TVFJAZCVMOXQRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "neoC10azetnE" ;
skos:prefLabel "neodecaanzuur ethenylester"@nl .
csc:CKDDRHZIAZRDBW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16898 ;
dbo:casNumber "2363-71-5" ;
dbo:formula "C21H42O2" ;
dbo:inchi "InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)" ;
dbo:iupacName "Henicosanoic acid"@en ;
dbo:pubchem "16898"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "CKDDRHZIAZRDBW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C21azr" ;
skos:prefLabel "heneicosaanzuur"@nl .
csc:OWRCNXZUPFZXOS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7594 ;
dbo:casNumber "39291-21-9" , "55556-10-0" , "102-06-7" , "25323-69-7" , "33505-70-3" ;
dbo:formula "C13H13N3" ;
dbo:inchi "InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)" ;
dbo:iupacName "1,2-di(phenyl)guanidine"@en ;
dbo:pubchem "7594"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N" ;
dbp:inchikey "OWRCNXZUPFZXOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DFygandne" ;
skos:prefLabel "1,3-difenylguanidine"@nl .
csc:RCFAHSGZAAFQJH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:102877 ;
dbo:casNumber "2769-94-0" , "25640-70-4" ;
dbo:formula "C22H22O" ;
dbo:inchi "InChI=1S/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3" ;
dbo:iupacName "2,4-Bis(1-phenylethyl)phenol"@en ;
dbo:pubchem "102877"^^xsd:int ;
dbo:smiles "CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3" ;
dbp:inchikey "RCFAHSGZAAFQJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002651 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24bis1FyC2yF" ;
skos:prefLabel "2,4-bis(1-fenylethyl)fenol"@nl .
csc:VUNCWTMEJYMOOR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6478 ;
dbo:casNumber "77-47-4" ;
dbo:formula "C5Cl6" ;
dbo:inchi "InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8" ;
dbo:iupacName "1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene"@en ;
dbo:pubchem "6478"^^xsd:int ;
dbo:smiles "C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl" ;
dbp:inchikey "VUNCWTMEJYMOOR-UHFFFAOYSA-N" ;
skos:altLabel "hexachloorcyclopentadieen (hccpd)"@nl , "hexachloorcyclopentadieen (HCCPD)"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_77-47-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCCPD" ;
skos:prefLabel "hexachloorcyclopentadieen"@nl ;
vcs:vmmParameterId "380"^^xsd:int .
csc:XNYGOEGATLFFOX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31341 ;
dbo:casNumber "126-15-8" ;
dbo:formula "C13H16O2" ;
dbo:inchi "InChI=1S/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2" ;
dbo:iupacName "4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde"@en ;
dbo:pubchem "31341"^^xsd:int ;
dbo:smiles "C1C=CCC2C1C3CC=CCC3(O2)C=O" ;
dbp:inchikey "XNYGOEGATLFFOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002648 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisC4yeT4HfA" ;
skos:prefLabel "bis(butyleen)tetrahydrofuraldehyde"@nl .
csc:GGNLTHFTYNDYNK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16773 ;
dbo:casNumber "2275-14-1" ;
dbo:formula "C11H15Cl2O2PS3" ;
dbo:inchi "InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3" ;
dbo:iupacName "(2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "16773"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSC1=C(C=CC(=C1)Cl)Cl" ;
dbp:inchikey "GGNLTHFTYNDYNK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "febktn" ;
skos:prefLabel "fenkapton"@nl .
csc:WFDXOXNFNRHQEC-GHRIWEEISA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3034285 ;
dbo:casNumber "215934-32-0" , "131860-33-8" ;
dbo:formula "C22H17N3O5" ;
dbo:inchi "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" ;
dbo:iupacName "methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate"@en ;
dbo:pubchem "3034285"^^xsd:int ;
dbo:smiles "COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC" ;
dbp:inchikey "WFDXOXNFNRHQEC-GHRIWEEISA-N" ;
skos:broader csc:CHEMONTID_0004203 ;
skos:exactMatch wise:CAS_131860-33-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azoxsbn" ;
skos:prefLabel "azoxystrobin"@nl ;
vcs:vmmParameterId "974"^^xsd:int .
csc:RZVHIXYEVGDQDX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6780 ;
dbo:casNumber "790240-52-7" , "84-65-1" ;
dbo:formula "C14H8O2" ;
dbo:inchi "InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H" ;
dbo:iupacName "anthracene-9,10-dione"@en ;
dbo:pubchem "6780"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O" ;
dbp:inchikey "RZVHIXYEVGDQDX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "antcnn" ;
skos:prefLabel "antrachinon"@nl .
csc:VNENJHUOPQAPAT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:108227 ;
dbo:casNumber "948-71-0" ;
dbo:formula "C10H7N3OS" ;
dbo:inchi "InChI=1S/C10H7N3OS/c14-6-1-2-7-8(3-6)13-10(12-7)9-4-15-5-11-9/h1-5,14H,(H,12,13)" ;
dbo:iupacName "2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol"@en ;
dbo:pubchem "108227"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C1O)NC(=N2)C3=CSC=N3" ;
dbp:inchikey "VNENJHUOPQAPAT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5HOxtabdzle" ;
skos:prefLabel "5-hydroxythiabendazole"@nl .
csc:HPHUVLMMVZITSG-ZCFIWIBFSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:441341 ;
dbo:casNumber "102767-28-2" ;
dbo:formula "C8H14N2O2" ;
dbo:inchi "InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1" ;
dbo:iupacName "(2R)-2-(2-oxopyrrolidin-1-yl)butanamide"@en ;
dbo:pubchem "441341"^^xsd:int ;
dbo:smiles "CCC(C(=O)N)N1CCCC1=O" ;
dbp:inchikey "HPHUVLMMVZITSG-ZCFIWIBFSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "levtrctm" ;
skos:prefLabel "levetiracetam"@nl .
csc:OSCXYTRISGREIM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:80076 ;
dbo:casNumber "5976-47-6" ;
dbo:formula "C3H5ClO" ;
dbo:inchi "InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2" ;
dbo:iupacName "2-chloroprop-2-en-1-ol"@en ;
dbo:pubchem "80076"^^xsd:int ;
dbo:smiles "C=C(CO)Cl" ;
dbp:inchikey "OSCXYTRISGREIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002608 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl2C3eol" ;
skos:prefLabel "2-chloor-2-propeen-ol"@nl .
csc:ZLCUIOWQYBYEBG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6702 ;
dbo:casNumber "82-28-0" ;
dbo:formula "C15H11NO2" ;
dbo:inchi "InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3" ;
dbo:iupacName "1-amino-2-methylanthracene-9,10-dione"@en ;
dbo:pubchem "6702"^^xsd:int ;
dbo:smiles "CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N" ;
dbp:inchikey "ZLCUIOWQYBYEBG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Ao2C1yatqnn" ;
skos:prefLabel "1-amino-2-methylanthraquinon"@nl .
csc:QZHDEAJFRJCDMF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:67734 ;
dbo:casNumber "355-46-4" ;
dbo:formula "C6HF13O3S" ;
dbo:inchi "InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid"@en ;
dbo:pubchem "67734"^^xsd:int ;
dbo:smiles "C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F" ;
dbp:inchikey "QZHDEAJFRJCDMF-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-hexaansulfonzuur (pfhxs)"@nl , "perfluor-n-hexaansulfonzuur"@nl , "perfluorhexaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "L_PFHxS" , "PFHxS" ;
skos:prefLabel "perfluorhexaansulfonzuur (pfhxs)"@nl .
csc:MLUCVPSAIODCQM-NSCUHMNNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:447466 ;
dbo:casNumber "15798-64-8" , "123-73-9" ;
dbo:formula "C4H6O" ;
dbo:inchi "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+" ;
dbo:iupacName "(E)-but-2-enal"@en ;
dbo:pubchem "447466"^^xsd:int ;
dbo:smiles "CC=CC=O" ;
dbp:inchikey "MLUCVPSAIODCQM-NSCUHMNNSA-N" ;
skos:altLabel "trans-2-butenal"@nl ;
skos:broader csc:CHEMONTID_0002436 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c2C4eal" , "crotAh" ;
skos:prefLabel "cis-2-butenal"@nl .
csc:NYOKZHDTNBDPOB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25550 ;
dbo:casNumber "12407-86-2" , "2655-15-4" , "58784-13-7" ;
dbo:formula "C11H15NO2" ;
dbo:inchi "InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(2,3,5-trimethylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "25550"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)OC(=O)NC)C)C" ;
dbp:inchikey "NYOKZHDTNBDPOB-UHFFFAOYSA-N" ;
skos:altLabel "2,3,5-trimethacarb"@nl ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "235Tmtcb" , "landn" ;
skos:prefLabel "landrin"@nl .
csc:FAQYAMRNWDIXMY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25135 ;
dbo:casNumber "31012-04-1" , "10294-34-5" , "37226-51-0" ;
dbo:formula "BCl3" ;
dbo:inchi "InChI=1S/BCl3/c2-1(3)4" ;
dbo:iupacName "Trichloroborane"@en ;
dbo:pubchem "25135"^^xsd:int ;
dbo:smiles "B(Cl)(Cl)Cl" ;
dbp:inchikey "FAQYAMRNWDIXMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000583 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BTCl" ;
skos:prefLabel "boortrichloride"@nl .
csc:XFXPMWWXUTWYJX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5975 ;
dbo:casNumber "57-12-5" , "373-51-3" ;
dbo:formula "CN-" ;
dbo:inchi "InChI=1S/CN/c1-2/q-1" ;
dbo:iupacName "Cyanide"@en ;
dbo:pubchem "5975"^^xsd:int ;
dbo:smiles "[C-]#N" ;
dbp:inchikey "XFXPMWWXUTWYJX-UHFFFAOYSA-N" ;
dct:isReferencedBy co:CMA_2_I_C.2.3 , co:WAC_III_C_030 , co:WAC_III_D_036 , co:CMA_2_I_C.2.1 , co:CMA_2_I_C.2.2 ;
skos:broader csc:CHEMONTID_0000553 ;
skos:exactMatch wise:CAS_57-12-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CN" ;
skos:prefLabel "cyanide"@nl ;
vcs:vmmParameterId "487"^^xsd:int , "26"^^xsd:int , "527"^^xsd:int , "488"^^xsd:int , "1195"^^xsd:int , "905"^^xsd:int .
csc:XERJKGMBORTKEO-VZUCSPMQSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5364079 ;
dbo:casNumber "93195-85-8" , "57966-95-7" ;
dbo:formula "C7H10N4O3" ;
dbo:inchi "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" ;
dbo:iupacName "2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide"@en ;
dbo:pubchem "5364079"^^xsd:int ;
dbo:smiles "CCNC(=O)NC(=O)C(=NOC)C#N" ;
dbp:inchikey "XERJKGMBORTKEO-VZUCSPMQSA-N" ;
skos:broader csc:CHEMONTID_0001010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cymOanl" ;
skos:prefLabel "cymoxanil"@nl .
csc:DAASOABUJRMZAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15583 ;
dbo:casNumber "1715-40-8" ;
dbo:formula "C8H5BrCl6" ;
dbo:inchi "InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2" ;
dbo:iupacName "6-(bromomethyl)-1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene"@en ;
dbo:pubchem "15583"^^xsd:int ;
dbo:smiles "C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CBr" ;
dbp:inchikey "DAASOABUJRMZAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Brccn" ;
skos:prefLabel "bromocyclen"@nl .
csc:GBIHOLCMZGAKNG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:50980 ;
dbo:casNumber "70124-77-5" , "71611-31-9" ;
dbo:formula "C26H23F2NO4" ;
dbo:inchi "InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate"@en ;
dbo:pubchem "50980"^^xsd:int ;
dbo:smiles "CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "GBIHOLCMZGAKNG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluctnt" ;
skos:prefLabel "flucythrinaat"@nl .
csc:JIAARYAFYJHUJI-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5727 ;
dbo:casNumber "53917-99-0" , "7646-85-7" ;
dbo:formula "Cl2Zn" ;
dbo:inchi "InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2" ;
dbo:iupacName "['Zinc dichloride', 'dichlorozinc']"@en ;
dbo:pubchem "5727"^^xsd:int ;
dbo:smiles "Cl[Zn]Cl" ;
dbp:inchikey "JIAARYAFYJHUJI-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000588 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ZnCl" ;
skos:prefLabel "zinkchloride"@nl .
csc:IVJISJACKSSFGE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:93374 ;
dbo:casNumber "59588-07-7" , "68002-21-1" , "68955-24-8" , "68002-24-4" , "68037-27-4" , "68002-20-0" , "68036-97-5" , "68511-75-1" , "59588-08-8" , "68511-73-9" , "68002-25-5" ;
dbo:formula "C4H8N6O" ;
dbo:inchi "InChI=1S/C3H6N6.CH2O/c4-1-7-2(5)9-3(6)8-1;1-2/h(H6,4,5,6,7,8,9);1H2" ;
dbo:iupacName "formaldehyde; 1,3,5-triazine-2,4,6-triamine"@en ;
dbo:pubchem "93374"^^xsd:int ;
dbo:smiles "C=O.C1(=NC(=NC(=N1)N)N)N" ;
dbp:inchikey "IVJISJACKSSFGE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001831 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "melmnplmmfAh" ;
skos:prefLabel "melamine, polymeer met formaldehyde en methanol"@nl .
csc:YBGZDTIWKVFICR-JLHYYAGUSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5355130 ;
dbo:casNumber "155867-04-2" , "5466-77-3" ;
dbo:formula "C18H26O3" ;
dbo:inchi "InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+" ;
dbo:iupacName "['2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate', '2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate']"@en ;
dbo:pubchem "5355130"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC" ;
dbp:inchikey "YBGZDTIWKVFICR-JLHYYAGUSA-N" ;
skos:altLabel "2-ethylhexyl-4-methoxycinnamaat"@nl ;
skos:broader csc:CHEMONTID_0003480 ;
skos:exactMatch wise:CAS_5466-77-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6y4C1ox" ;
skos:prefLabel "octinoxaat"@nl ;
vcs:vmmParameterId "1515"^^xsd:int .
csc:PLGQWYOULXPJRE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17683 ;
dbo:casNumber "2753-45-9" , "3625-06-7" ;
dbo:formula "C25H36ClNO5" ;
dbo:inchi "InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H" ;
dbo:iupacName "['4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate; hydron; chloride', '4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate hydrochloride']"@en ;
dbo:pubchem "17683"^^xsd:int ;
dbo:smiles "CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl" ;
dbp:inchikey "PLGQWYOULXPJRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mebvrnHCL" ;
skos:prefLabel "mebeverine hydrochloride"@nl .
csc:ZPEIMTDSQAKGNT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2726 ;
dbo:casNumber "34468-21-8" , "50-53-3" ;
dbo:formula "C17H19ClN2S" ;
dbo:inchi "InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3" ;
dbo:iupacName "3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine"@en ;
dbo:pubchem "2726"^^xsd:int ;
dbo:smiles "CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl" ;
dbp:inchikey "ZPEIMTDSQAKGNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpmzne" ;
skos:prefLabel "chloorpromazine"@nl .
csc:LRTFPLFDLJYEKT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7464 ;
dbo:casNumber "99-88-7" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3" ;
dbo:iupacName "4-propan-2-ylaniline"@en ;
dbo:pubchem "7464"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)N" ;
dbp:inchikey "LRTFPLFDLJYEKT-UHFFFAOYSA-N" ;
skos:altLabel "4-isopropylaniline (Cumidine)"@nl ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4iC3yAn" ;
skos:prefLabel "4-isopropylaniline (cumidine)"@nl .
csc:SATCULPHIDQDRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8438 ;
dbo:casNumber "30024-74-9" , "120-57-0" ;
dbo:formula "C8H6O3" ;
dbo:inchi "InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2" ;
dbo:iupacName "1,3-benzodioxole-5-carbaldehyde"@en ;
dbo:pubchem "8438"^^xsd:int ;
dbo:smiles "C1OC2=C(O1)C=C(C=C2)C=O" ;
dbp:inchikey "SATCULPHIDQDRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "piprnl" ;
skos:prefLabel "piperonal"@nl .
csc:DNZXWDUPPLHSQL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33793 ;
dbo:casNumber "27360-58-3" ;
dbo:formula "C12H10HgO2" ;
dbo:inchi "InChI=1S/C6H5O2.C6H5.Hg/c7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1;/h1-2,4,7-8H;1-5H;" ;
dbo:iupacName "(2,4-dihydroxyphenyl)-phenylmercury"@en ;
dbo:pubchem "33793"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)[Hg]C2=C(C=C(C=C2)O)O" ;
dbp:inchikey "DNZXWDUPPLHSQL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000137 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oFyHgOxFol" ;
skos:prefLabel "o-(fenylkwikoxy)fenol"@nl .
csc:SNIOPGDIGTZGOP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4510 ;
dbo:casNumber "80066-48-4" , "55-63-0" , "105469-31-6" , "8013-23-8" , "9010-02-0" ;
dbo:formula "C3H5N3O9" ;
dbo:inchi "InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2" ;
dbo:iupacName "1,3-dinitrooxypropan-2-yl nitrate"@en ;
dbo:pubchem "4510"^^xsd:int ;
dbo:smiles "C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]" ;
dbp:inchikey "SNIOPGDIGTZGOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO2gcrne" ;
skos:prefLabel "nitroglycerine"@nl .
csc:HAPOJKSPCGLOOD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9201 ;
dbo:casNumber "243-17-4" , "30777-19-6" ;
dbo:formula "C17H12" ;
dbo:inchi "InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2" ;
dbo:iupacName "11H-Benzo[b]fluorene"@en ;
dbo:pubchem "9201"^^xsd:int ;
dbo:smiles "C1C2=CC=CC=C2C3=CC4=CC=CC=C4C=C31" ;
dbp:inchikey "HAPOJKSPCGLOOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BbFle" ;
skos:prefLabel "benzo(b)fluoreen"@nl .
csc:GDIIPKWHAQGCJF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8390 ;
dbo:casNumber "119-32-4" ;
dbo:formula "C7H8N2O2" ;
dbo:inchi "InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3" ;
dbo:iupacName "4-Methyl-3-nitroaniline"@en ;
dbo:pubchem "8390"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N)[N+](=O)[O-]" ;
dbp:inchikey "GDIIPKWHAQGCJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y3NO2An" ;
skos:prefLabel "4-methyl-3-nitroaniline"@nl .
csc:DDTBPAQBQHZRDW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9268 ;
dbo:casNumber "294-62-2" , "46133-53-3" ;
dbo:formula "C12H24" ;
dbo:inchi "InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2" ;
dbo:iupacName "CYCLODODECANE"@en ;
dbo:pubchem "9268"^^xsd:int ;
dbo:smiles "C1CCCCCCCCCCC1" ;
dbp:inchikey "DDTBPAQBQHZRDW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC12a" ;
skos:prefLabel "cyclododecaan"@nl .
csc:JUZXDNPBRPUIOR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13837 ;
dbo:casNumber "7003-89-6" ;
dbo:formula "C5H13ClN+" ;
dbo:inchi "InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1" ;
dbo:iupacName "2-chloroethyl-trimethylazanium"@en ;
dbo:pubchem "13837"^^xsd:int ;
dbo:smiles "C[N+](C)(C)CCCl" ;
dbp:inchikey "JUZXDNPBRPUIOR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clmqat" ;
skos:prefLabel "chloormequat"@nl .
csc:RLPCJGKQKFMBEI-UOBLTHIJSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:72492 ;
dbo:casNumber "7060-74-4" ;
dbo:formula "C35H64NO16P" ;
dbo:inchi "InChI=1S/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+;/m0./s1" ;
dbo:iupacName "(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione; phosphoric acid"@en ;
dbo:pubchem "72492"^^xsd:int ;
dbo:smiles "CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C.OP(=O)(O)O" ;
dbp:inchikey "RLPCJGKQKFMBEI-UOBLTHIJSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oladmcnPO4" ;
skos:prefLabel "oleandomycinefosfaat"@nl .
csc:ZWRUINPWMLAQRD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8914 ;
dbo:casNumber "143-08-8" , "28473-21-4" ;
dbo:formula "C9H20O" ;
dbo:inchi "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" ;
dbo:iupacName "Nonan-1-ol"@en ;
dbo:pubchem "8914"^^xsd:int ;
dbo:smiles "CCCCCCCCCO" ;
dbp:inchikey "ZWRUINPWMLAQRD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C9ol" ;
skos:prefLabel "1-nonanol"@nl .
csc:BKVIYDNLLOSFOA-OIOBTWANSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5461982 ;
dbo:casNumber "15064-65-0" ;
dbo:formula "Tl" ;
dbo:inchi "InChI=1S/Tl/i1-3" ;
dbo:iupacName "thallium-201"@en ;
dbo:pubchem "5461982"^^xsd:int ;
dbo:smiles "[Tl]" ;
dbp:inchikey "BKVIYDNLLOSFOA-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tl201" ;
skos:prefLabel "thallium 201"@nl .
csc:ONMOULMPIIOVTQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7387 ;
dbo:casNumber "98-47-5" ;
dbo:formula "C6H5NO5S" ;
dbo:inchi "InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)" ;
dbo:iupacName "3-NITROBENZENESULFONIC ACID"@en ;
dbo:pubchem "7387"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-]" ;
dbp:inchikey "ONMOULMPIIOVTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3NO2Bensfzr" ;
skos:prefLabel "3-nitrobenzeensulfonzuur"@nl .
csc:QPJVMBTYPHYUOC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7150 ;
dbo:casNumber "93-58-3" ;
dbo:formula "C8H8O2" ;
dbo:inchi "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" ;
dbo:iupacName "Methyl benzoate"@en ;
dbo:pubchem "7150"^^xsd:int ;
dbo:smiles "COC(=O)C1=CC=CC=C1" ;
dbp:inchikey "QPJVMBTYPHYUOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "methylbenzoaat"@nl .
csc:NFACJZMKEDPNKN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5853 ;
dbo:casNumber "66758-31-4" , "37333-09-8" , "50924-44-2" , "52-68-6" , "56042-25-2" ;
dbo:formula "C4H8Cl3O4P" ;
dbo:inchi "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" ;
dbo:iupacName "['hydroxy-dimethoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphanium', '2,2,2-trichloro-1-dimethoxyphosphorylethanol']"@en ;
dbo:pubchem "5853"^^xsd:int ;
dbo:smiles "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" ;
dbp:inchikey "NFACJZMKEDPNKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004482 ;
skos:exactMatch wise:CAS_52-68-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClfn" ;
skos:prefLabel "trichloorfon"@nl ;
vcs:vmmParameterId "407"^^xsd:int .
csc:OJGMBLNIHDZDGS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7670 ;
dbo:casNumber "103-69-5" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3" ;
dbo:iupacName "N-Ethylaniline"@en ;
dbo:pubchem "7670"^^xsd:int ;
dbo:smiles "CCNC1=CC=CC=C1" ;
dbp:inchikey "OJGMBLNIHDZDGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yAn" ;
skos:prefLabel "ethylaniline"@nl .
csc:GEPDYQSQVLXLEU-AATRIKPKSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5355863 ;
dbo:casNumber "243464-31-5" , "26718-65-0" , "298-01-1" , "7786-34-7" ;
dbo:formula "C7H13O6P" ;
dbo:inchi "InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+" ;
dbo:iupacName "['methyl 3-dimethoxyphosphoryloxybut-2-enoate', 'methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate']"@en ;
dbo:pubchem "5355863"^^xsd:int ;
dbo:smiles "CC(=CC(=O)OC)OP(=O)(OC)OC" ;
dbp:inchikey "GEPDYQSQVLXLEU-AATRIKPKSA-N" ;
skos:altLabel "cis-mevinfos"@nl ;
skos:broader csc:CHEMONTID_0000324 ;
skos:exactMatch wise:CAS_7786-34-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mevfs" , "cmevfs" ;
skos:prefLabel "mevinfos"@nl ;
vcs:vmmParameterId "392"^^xsd:int .
csc:BAUYGSIQEAFULO-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24393 ;
dbo:casNumber "56172-58-8" , "7720-78-7" , "8063-79-4" , "8060-18-2" , "139939-63-2" , "16547-58-3" ;
dbo:formula "FeO4S" ;
dbo:inchi "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ;
dbo:iupacName "iron(+2) cation sulfate"@en ;
dbo:pubchem "24393"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Fe+2]" ;
dbp:inchikey "BAUYGSIQEAFULO-UHFFFAOYSA-L" ;
skos:altLabel "ijzer(II)sulfaat"@nl ;
skos:broader csc:CHEMONTID_0000858 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeSO4" ;
skos:prefLabel "ijzer(ii)sulfaat"@nl .
csc:JDRFUUBRGGDEIZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16811 ;
dbo:casNumber "136365-67-8" , "2300-66-5" ;
dbo:formula "C10H13Cl2NO3" ;
dbo:inchi "InChI=1S/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3" ;
dbo:iupacName "3,6-dichloro-2-methoxybenzoic acid; N-methylmethanamine"@en ;
dbo:pubchem "16811"^^xsd:int ;
dbo:smiles "CNC.COC1=C(C=CC(=C1C(=O)O)Cl)Cl" ;
dbp:inchikey "JDRFUUBRGGDEIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002345 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yAeDcba" ;
skos:prefLabel "dimethylamine dicamba"@nl .
csc:IZUKQUVSCNEFMJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10707 ;
dbo:casNumber "528-29-0" ;
dbo:formula "C6H4N2O4" ;
dbo:inchi "InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H" ;
dbo:iupacName "1,2-Dinitrobenzene"@en ;
dbo:pubchem "10707"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "IZUKQUVSCNEFMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DNO2Ben" ;
skos:prefLabel "1,2-dinitrobenzeen"@nl .
csc:YGPVLXJHRFZYJJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:28458 ;
dbo:casNumber "17302-32-8" ;
dbo:formula "C11H24" ;
dbo:inchi "InChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3" ;
dbo:iupacName "3,7-DIMETHYLNONANE"@en ;
dbo:pubchem "28458"^^xsd:int ;
dbo:smiles "CCC(C)CCCC(C)CC" ;
dbp:inchikey "YGPVLXJHRFZYJJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "37DC1yC9a" ;
skos:prefLabel "3,7-dimethylnonaan"@nl .
csc:VJFUPGQZSXIULQ-XIGJTORUSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5281555 ;
dbo:casNumber "121-29-9" ;
dbo:formula "C22H28O5" ;
dbo:inchi "InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1" ;
dbo:iupacName "[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "5281555"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" ;
dbp:inchikey "VJFUPGQZSXIULQ-XIGJTORUSA-N" ;
skos:altLabel "pyrethrin ii"@nl ;
skos:broader csc:CHEMONTID_0001724 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrtnII" ;
skos:prefLabel "pyrethrin II"@nl .
csc:FXHOOIRPVKKKFG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31374 ;
dbo:casNumber "127-19-5" ;
dbo:formula "C4H9NO" ;
dbo:inchi "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" ;
dbo:iupacName "N,N-Dimethylacetamide"@en ;
dbo:pubchem "31374"^^xsd:int ;
dbo:smiles "CC(=O)N(C)C" ;
dbp:inchikey "FXHOOIRPVKKKFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yacAd" ;
skos:prefLabel "dimethylacetamide"@nl .
csc:KRMDCWKBEZIMAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2160 ;
dbo:casNumber "50-48-6" , "30227-34-0" ;
dbo:formula "C20H23N" ;
dbo:inchi "InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3" ;
dbo:iupacName "N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine"@en ;
dbo:pubchem "2160"^^xsd:int ;
dbo:smiles "CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31" ;
dbp:inchikey "KRMDCWKBEZIMAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amttlne" ;
skos:prefLabel "amitriptyline"@nl .
csc:NIWWFAAXEMMFMS-AHCXROLUSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:105155 ;
dbo:casNumber "15757-87-6" ;
dbo:formula "Cm" ;
dbo:inchi "InChI=1S/Cm/i1-4" ;
dbo:iupacName "curium-243"@en ;
dbo:pubchem "105155"^^xsd:int ;
dbo:smiles "[Cm]" ;
dbp:inchikey "NIWWFAAXEMMFMS-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cm243" ;
skos:prefLabel "curium 243"@nl .
csc:YFVOXLJXJBQDEF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:90479 ;
dbo:casNumber "24353-61-5" , "39284-27-0" ;
dbo:formula "C11H16NO4PS" ;
dbo:inchi "InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)" ;
dbo:iupacName "propan-2-yl 2-(amino-methoxyphosphinothioyl)oxybenzoate"@en ;
dbo:pubchem "90479"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC" ;
dbp:inchikey "YFVOXLJXJBQDEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "icbfs" ;
skos:prefLabel "isocarbofos"@nl .
csc:YNPFMWCWRVTGKJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:68551 ;
dbo:casNumber "78644-54-9" , "21535-47-7" , "24219-97-4" ;
dbo:formula "C18H21ClN2" ;
dbo:inchi "InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H" ;
dbo:iupacName "5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene;hydrochloride"@en ;
dbo:pubchem "68551"^^xsd:int ;
dbo:smiles "CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.Cl" ;
dbp:inchikey "YNPFMWCWRVTGKJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "miasrne" ;
skos:prefLabel "mianserine"@nl .
csc:OBSZRRSYVTXPNB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:123286 ;
dbo:casNumber "12185-10-3" , "51273-58-6" ;
dbo:formula "P4" ;
dbo:inchi "InChI=1S/P4/c1-2-3(1)4(1)2" ;
dbo:iupacName "1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane"@en ;
dbo:pubchem "123286"^^xsd:int ;
dbo:smiles "P12P3P1P23" ;
dbp:inchikey "OBSZRRSYVTXPNB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "P4" ;
skos:prefLabel "tetrafosfor"@nl .
csc:KCXMKQUNVWSEMD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7503 ;
dbo:casNumber "27987-13-9" , "25168-05-2" , "100-44-7" ;
dbo:formula "C7H7Cl" ;
dbo:inchi "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" ;
dbo:iupacName "Chloromethylbenzene"@en ;
dbo:pubchem "7503"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCl" ;
dbp:inchikey "KCXMKQUNVWSEMD-UHFFFAOYSA-N" ;
skos:altLabel "alfa-chloortolueen"@nl , "alfa-chloortolueen (benzylchloride)"@nl , "? -chloortolueen"@nl , "benzylchloride"@nl ;
skos:broader csc:CHEMONTID_0003980 ;
skos:exactMatch wise:CAS_100-44-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzCl" ;
skos:prefLabel "? -chloortolueen "@nl ;
vcs:vmmParameterId "724"^^xsd:int .
csc:ZSLUVFAKFWKJRC-BJUDXGSMSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:167210 ;
dbo:casNumber "14932-40-2" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-1" ;
dbo:iupacName "thorium-231"@en ;
dbo:pubchem "167210"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "ZSLUVFAKFWKJRC-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th231" ;
skos:prefLabel "thorium 231"@nl .
csc:FITZJYAVATZPMJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11390 ;
dbo:casNumber "581-75-9" ;
dbo:formula "C10H8O6S2" ;
dbo:inchi "InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)" ;
dbo:iupacName "Naphthalene-2,6-disulfonic acid"@en ;
dbo:pubchem "11390"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1S(=O)(=O)O" ;
dbp:inchikey "FITZJYAVATZPMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf26Dsfzr" ;
skos:prefLabel "naftaleen-2,6-disulfonzuur"@nl .
csc:SZEMGTQCPRNXEG-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:70708 ;
dbo:casNumber "1120-02-1" ;
dbo:formula "C21H46BrN" ;
dbo:inchi "InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "trimethyl-octadecylazanium bromide"@en ;
dbo:pubchem "70708"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]" ;
dbp:inchikey "SZEMGTQCPRNXEG-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yC18yNH4B" ;
skos:prefLabel "trimethyloctadecylammonium bromide"@nl .
csc:IOJUPLGTWVMSFF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7222 ;
dbo:casNumber "128366-28-9" , "95-16-9" ;
dbo:formula "C7H5NS" ;
dbo:inchi "InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H" ;
dbo:iupacName "1,3-benzothiazole"@en ;
dbo:pubchem "7222"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=CS2" ;
dbp:inchikey "IOJUPLGTWVMSFF-UHFFFAOYSA-N" ;
skos:altLabel "benzothiazole"@nl ;
skos:broader csc:CHEMONTID_0000311 ;
skos:exactMatch wise:CAS_95-16-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benztazl" ;
skos:prefLabel "benzothiazool"@nl ;
vcs:vmmParameterId "1015"^^xsd:int .
csc:XLROVYAPLOFLNU-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:177681 ;
dbo:casNumber "15766-10-6" ;
dbo:formula "Pa" ;
dbo:inchi "InChI=1S/Pa/i1-1" ;
dbo:iupacName "protactinium-230"@en ;
dbo:pubchem "177681"^^xsd:int ;
dbo:smiles "[Pa]" ;
dbp:inchikey "XLROVYAPLOFLNU-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pa230" ;
skos:prefLabel "protactinium 230"@nl .
csc:POAOYUHQDCAZBD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8133 ;
dbo:casNumber "111-76-2" , "9004-77-7" ;
dbo:formula "C6H14O2" ;
dbo:inchi "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" ;
dbo:iupacName "2-Butoxyethanol"@en ;
dbo:pubchem "8133"^^xsd:int ;
dbo:smiles "CCCCOCCO" ;
dbp:inchikey "POAOYUHQDCAZBD-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_003 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4oxC2ol" ;
skos:prefLabel "2-butoxyethanol"@nl .
csc:SEQDDYPDSLOBDC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5391 ;
dbo:casNumber "846-50-4" ;
dbo:formula "C16H13ClN2O2" ;
dbo:inchi "InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3" ;
dbo:iupacName "7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "5391"^^xsd:int ;
dbo:smiles "CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3" ;
dbp:inchikey "SEQDDYPDSLOBDC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "temzpm" ;
skos:prefLabel "temazepam"@nl .
csc:ZSLUVFAKFWKJRC-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104875 ;
dbo:casNumber "15065-10-8" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1+2" ;
dbo:iupacName "thorium-234"@en ;
dbo:pubchem "104875"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "ZSLUVFAKFWKJRC-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th234" ;
skos:prefLabel "thorium 234"@nl .
csc:WLLGXSLBOPFWQV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8227 ;
dbo:casNumber "113-48-4" ;
dbo:formula "C17H25NO2" ;
dbo:inchi "InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3" ;
dbo:iupacName "4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione"@en ;
dbo:pubchem "8227"^^xsd:int ;
dbo:smiles "CCCCC(CC)CN1C(=O)C2C3CC(C2C1=O)C=C3" ;
dbp:inchikey "WLLGXSLBOPFWQV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8ybccC7eDcb" ;
skos:prefLabel "octylbicyclohepteendicarboximide"@nl .
csc:TWFZGCMQGLPBSX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25429 ;
dbo:casNumber "102040-01-7" , "63278-70-6" , "39413-19-9" , "63090-40-4" , "105268-95-9" , "10605-21-7" , "212384-28-6" , "59758-95-1" , "110342-67-1" , "37953-07-4" ;
dbo:formula "C9H9N3O2" ;
dbo:inchi "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" ;
dbo:iupacName "methyl N-(1H-benzimidazol-2-yl)carbamate"@en ;
dbo:pubchem "25429"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=CC=CC=C2N1" ;
dbp:inchikey "TWFZGCMQGLPBSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004711 ;
skos:exactMatch wise:CAS_10605-21-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbdzm" ;
skos:prefLabel "carbendazim"@nl ;
vcs:vmmParameterId "800"^^xsd:int .
csc:SGEJQUSYQTVSIU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14215 ;
dbo:casNumber "1114-71-2" ;
dbo:formula "C10H21NOS" ;
dbo:inchi "InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3" ;
dbo:iupacName "S-propyl (butyl-ethylamino)methanethioate"@en ;
dbo:pubchem "14215"^^xsd:int ;
dbo:smiles "CCCCN(CC)C(=O)SCCC" ;
dbp:inchikey "SGEJQUSYQTVSIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "peblt" ;
skos:prefLabel "pebulaat"@nl .
csc:BQFCCUSDZLKBJG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:39253 ;
dbo:casNumber "42740-50-1" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-4-2-6(15)9(17)11(19)7(4)3-1-5(14)10(18)12(20)8(3)16/h1-2H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "39253"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "BQFCCUSDZLKBJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB196" ;
skos:prefLabel "2,2',3,3',4,4',5,6'-octachloorbifenyl"@nl .
csc:OWZREIFADZCYQD-NSHGMRRFSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40585 ;
dbo:casNumber "52918-63-5" , "55700-96-4" , "62229-77-0" ;
dbo:formula "C22H19Br2NO3" ;
dbo:inchi "InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1" ;
dbo:iupacName "[(S)-cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "40585"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C" ;
dbp:inchikey "OWZREIFADZCYQD-NSHGMRRFSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dmtn" ;
skos:prefLabel "deltamethrin"@nl .
csc:VIROVYVQCGLCII-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2164 ;
dbo:casNumber "57-43-2" ;
dbo:formula "C11H18N2O3" ;
dbo:inchi "InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "2164"^^xsd:int ;
dbo:smiles "CCC1(C(=O)NC(=O)NC1=O)CCC(C)C" ;
dbp:inchikey "VIROVYVQCGLCII-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000291 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ambbtl" ;
skos:prefLabel "amobarbital"@nl .
csc:LOQQVLXUKHKNIA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91729 ;
dbo:casNumber "79277-67-1" ;
dbo:formula "C11H11N5O6S2" ;
dbo:inchi "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" ;
dbo:iupacName "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid"@en ;
dbo:pubchem "91729"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" ;
dbp:inchikey "LOQQVLXUKHKNIA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004706 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thifsfrn" ;
skos:prefLabel "thifensulfuron"@nl .
csc:RQNWIZPPADIBDY-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6336622 ;
dbo:casNumber "15422-59-0" ;
dbo:formula "As" ;
dbo:inchi "InChI=1S/As/i1-2" ;
dbo:iupacName "arsenic-73"@en ;
dbo:pubchem "6336622"^^xsd:int ;
dbo:smiles "[As]" ;
dbp:inchikey "RQNWIZPPADIBDY-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "As73" ;
skos:prefLabel "arseen 73"@nl .
csc:XLROVYAPLOFLNU-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115129 ;
dbo:casNumber "13981-14-1" ;
dbo:formula "Pa" ;
dbo:inchi "InChI=1S/Pa/i1+2" ;
dbo:iupacName "protactinium-233"@en ;
dbo:pubchem "115129"^^xsd:int ;
dbo:smiles "[Pa]" ;
dbp:inchikey "XLROVYAPLOFLNU-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pa233" ;
skos:prefLabel "protactinium 233"@nl .
csc:YYJNOYZRYGDPNH-MFKUBSTISA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9576412 ;
dbo:casNumber "134098-61-6" , "111812-58-9" ;
dbo:formula "C24H27N3O4" ;
dbo:inchi "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" ;
dbo:iupacName "tert-butyl 4-[[[1,3-dimethyl-5-(phenoxy)pyrazol-4-yl]methylideneamino]oxymethyl]benzoate"@en ;
dbo:pubchem "9576412"^^xsd:int ;
dbo:smiles "CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" ;
dbp:inchikey "YYJNOYZRYGDPNH-MFKUBSTISA-N" ;
skos:broader csc:CHEMONTID_0002463 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenprxmt" ;
skos:prefLabel "fenpyroximaat"@nl .
csc:STJLVHWMYQXCPB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43234 ;
dbo:casNumber "60207-90-1" , "75881-82-2" ;
dbo:formula "C15H17Cl2N3O2" ;
dbo:inchi "InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3" ;
dbo:iupacName "1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "43234"^^xsd:int ;
dbo:smiles "CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "STJLVHWMYQXCPB-UHFFFAOYSA-N" ;
skos:altLabel "propiconazol (som cis- en trans-)"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_60207-90-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propcnzl" ;
skos:prefLabel "propiconazol"@nl ;
vcs:vmmParameterId "1187"^^xsd:int .
csc:ANUCHZVCBDOPOX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9177 ;
dbo:casNumber "224-42-0" ;
dbo:formula "C21H13N" ;
dbo:inchi "InChI=1S/C21H13N/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20/h1-13H" ;
dbo:iupacName "13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene"@en ;
dbo:pubchem "9177"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=CC=CC=C5C=C4" ;
dbp:inchikey "ANUCHZVCBDOPOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dbenzajacdne" ;
skos:prefLabel "dibenz(a,j)acridine"@nl .
csc:FDJQHYWUHGBBTO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38221 ;
dbo:casNumber "108066-98-4" , "6219-67-6" , "615-05-4" , "39156-41-7" ;
dbo:formula "C7H12N2O5S" ;
dbo:inchi "InChI=1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)" ;
dbo:iupacName "4-methoxybenzene-1,3-diamine; sulfuric acid"@en ;
dbo:pubchem "38221"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O" ;
dbp:inchikey "FDJQHYWUHGBBTO-UHFFFAOYSA-N" ;
skos:altLabel "2,4-diaminoanisolsulfaat"@nl ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DAoansl" , "24DAoansSO4" ;
skos:prefLabel "2,4-diaminoanisol"@nl .
csc:DLHXRDUXNVEIEY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17131 ;
dbo:casNumber "2445-83-2" ;
dbo:formula "C10H8O2" ;
dbo:inchi "InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3" ;
dbo:iupacName "7-methylchromen-2-one"@en ;
dbo:pubchem "17131"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)C=CC(=O)O2" ;
dbp:inchikey "DLHXRDUXNVEIEY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000145 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "7C1ycmrn" ;
skos:prefLabel "7-methylcoumarin"@nl .
csc:DKMROQRQHGEIOW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31249 ;
dbo:casNumber "68989-32-2" , "123-25-1" ;
dbo:formula "C8H14O4" ;
dbo:inchi "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" ;
dbo:iupacName "Diethyl butanedioate"@en ;
dbo:pubchem "31249"^^xsd:int ;
dbo:smiles "CCOC(=O)CCC(=O)OCC" ;
dbp:inchikey "DKMROQRQHGEIOW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4aDzrDC2yEs" ;
skos:prefLabel "butaandizuur, diethylester"@nl .
csc:YREQHYQNNWYQCJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:71245 ;
dbo:casNumber "80844-07-1" ;
dbo:formula "C25H28O3" ;
dbo:inchi "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" ;
dbo:iupacName "1-ethoxy-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene"@en ;
dbo:pubchem "71245"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "YREQHYQNNWYQCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfpx" ;
skos:prefLabel "ethofenprox"@nl .
csc:LFYXNXGVLGKVCJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16913 ;
dbo:casNumber "2371-42-8" , "18680-50-7" , "27695-81-4" , "95097-54-4" , "112548-27-3" ;
dbo:formula "C11H20O" ;
dbo:inchi "InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3" ;
dbo:iupacName "1,6,7,7-tetramethylbicyclo[2.2.1]heptan-6-ol"@en ;
dbo:pubchem "16913"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(C2)(C)O)C)C" ;
dbp:inchikey "LFYXNXGVLGKVCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yibnol" ;
skos:prefLabel "2-methyl isoborneol"@nl .
csc:HFCFJYRLBAANKN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11783 ;
dbo:casNumber "603-83-8" ;
dbo:formula "C7H8N2O2" ;
dbo:inchi "InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3" ;
dbo:iupacName "2-Methyl-3-nitroaniline"@en ;
dbo:pubchem "11783"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1[N+](=O)[O-])N" ;
dbp:inchikey "HFCFJYRLBAANKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao6NO2Tol" ;
skos:prefLabel "2-amino-6-nitrotolueen"@nl .
csc:YZCKVEUIGOORGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5362549 ;
dbo:casNumber "1333-74-0" ;
dbo:formula "H" ;
dbo:inchi "InChI=1S/H" ;
dbo:iupacName "Hydrogen"@en ;
dbo:pubchem "5362549"^^xsd:int ;
dbo:smiles "[H]" ;
dbp:inchikey "YZCKVEUIGOORGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H" ;
skos:prefLabel "waterstof"@nl .
csc:VHYFNPMBLIVWCW-UHFFFAOYSA-O
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2735020 ;
dbo:casNumber "1122-58-3" ;
dbo:formula "C7H11N2+" ;
dbo:inchi "InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3/p+1" ;
dbo:iupacName "N,N-dimethylpyridin-1-ium-4-amine"@en ;
dbo:pubchem "2735020"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=[NH+]C=C1" ;
dbp:inchikey "VHYFNPMBLIVWCW-UHFFFAOYSA-O" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4DC1yAoprdne" ;
skos:prefLabel "4-dimethylaminopyridine"@nl .
csc:TYMLOMAKGOJONV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7475 ;
dbo:casNumber "100-01-6" , "38013-32-0" ;
dbo:formula "C6H6N2O2" ;
dbo:inchi "InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2" ;
dbo:iupacName "['4-Nitroaniline', 'N,N-dihydroxybenzene-1,4-diamine']"@en ;
dbo:pubchem "7475"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)[N+](=O)[O-]" ;
dbp:inchikey "TYMLOMAKGOJONV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2An" ;
skos:prefLabel "4-nitroaniline"@nl .
csc:SIXSYDAISGFNSX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23952 ;
dbo:casNumber "7440-20-2" , "14391-83-4" , "195161-76-3" ;
dbo:formula "Sc" ;
dbo:inchi "InChI=1S/Sc" ;
dbo:iupacName "SCANDIUM"@en ;
dbo:pubchem "23952"^^xsd:int ;
dbo:smiles "[Sc]" ;
dbp:inchikey "SIXSYDAISGFNSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sc" ;
skos:prefLabel "scandium"@nl .
csc:IMRYETFJNLKUHK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91696 ;
dbo:casNumber "68140-48-7" ;
dbo:formula "C18H26O" ;
dbo:inchi "InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3" ;
dbo:iupacName "1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone"@en ;
dbo:pubchem "91696"^^xsd:int ;
dbo:smiles "CC1C(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)C(C)C" ;
dbp:inchikey "IMRYETFJNLKUHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000027 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ATTI" ;
skos:prefLabel "traseolide"@nl .
csc:FNPXMHRZILFCKX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:52421 ;
dbo:casNumber "73771-04-7" ;
dbo:formula "C27H36O8" ;
dbo:inchi "InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3" ;
dbo:iupacName "[2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] propanoate"@en ;
dbo:pubchem "52421"^^xsd:int ;
dbo:smiles "CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC" ;
dbp:inchikey "FNPXMHRZILFCKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "predncbt" ;
skos:prefLabel "prednicarbaat"@nl .
csc:PTCGDEVVHUXTMP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:47898 ;
dbo:casNumber "66332-96-5" , "84461-35-8" ;
dbo:formula "C17H16F3NO2" ;
dbo:inchi "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" ;
dbo:iupacName "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide"@en ;
dbo:pubchem "47898"^^xsd:int ;
dbo:smiles "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" ;
dbp:inchikey "PTCGDEVVHUXTMP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutlnl" ;
skos:prefLabel "flutolanil"@nl .
csc:VPHHJAOJUJHJKD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5817 ;
dbo:casNumber "51-44-5" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)" ;
dbo:iupacName "3,4-Dichlorobenzoic acid"@en ;
dbo:pubchem "5817"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C(=O)O)Cl)Cl" ;
dbp:inchikey "VPHHJAOJUJHJKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClBencbzr" ;
skos:prefLabel "3,4-dichloorbenzeencarbonzuur"@nl .
csc:GATVIKZLVQHOMN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31296 ;
dbo:casNumber "124-48-1" ;
dbo:formula "CHBr2Cl" ;
dbo:inchi "InChI=1S/CHBr2Cl/c2-1(3)4/h1H" ;
dbo:iupacName "dibromo-chloromethane"@en ;
dbo:pubchem "31296"^^xsd:int ;
dbo:smiles "C(Cl)(Br)Br" ;
dbp:inchikey "GATVIKZLVQHOMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:exactMatch wise:CAS_124-48-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBrClC1a" ;
skos:prefLabel "dibroomchloormethaan"@nl ;
vcs:vmmParameterId "377"^^xsd:int .
csc:KNLLPAOBVIKLDE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:35405 ;
dbo:casNumber "30667-99-3" ;
dbo:formula "C16H15Cl3O2" ;
dbo:inchi "InChI=1S/C16H15Cl3O2/c1-20-12-9-7-11(8-10-12)15(16(17,18)19)13-5-3-4-6-14(13)21-2/h3-10,15H,1-2H3" ;
dbo:iupacName "1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene"@en ;
dbo:pubchem "35405"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)C(C2=CC=CC=C2OC)C(Cl)(Cl)Cl" ;
dbp:inchikey "KNLLPAOBVIKLDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24C1oxCl" ;
skos:prefLabel "2,4'-methoxychloor"@nl .
csc:OGVXWEOZQMAAIM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12484 ;
dbo:casNumber "636-21-5" ;
dbo:formula "C7H10ClN" ;
dbo:inchi "InChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H" ;
dbo:iupacName "2-METHYLANILINE HYDROCHLORIDE"@en ;
dbo:pubchem "12484"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1N.Cl" ;
dbp:inchikey "OGVXWEOZQMAAIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "otolidnHCl" ;
skos:prefLabel "o-toluidine hydrochloride"@nl .
csc:YFNCATAIYKQPOO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31991 ;
dbo:casNumber "37359-51-6" , "23564-06-9" , "39300-54-4" , "37233-54-8" ;
dbo:formula "C14H18N4O4S2" ;
dbo:inchi "InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)" ;
dbo:iupacName "ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate"@en ;
dbo:pubchem "31991"^^xsd:int ;
dbo:smiles "CCOC(=O)N=C(NC1=CC=CC=C1NC(=NC(=O)OCC)S)S" ;
dbp:inchikey "YFNCATAIYKQPOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnC2y" ;
skos:prefLabel "thiofanaat-ethyl"@nl .
csc:PWYIUEFFPNVCMW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23717 ;
dbo:casNumber "7292-16-2" ;
dbo:formula "C13H21O4PS" ;
dbo:inchi "InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3" ;
dbo:iupacName "(4-methylsulfanylphenyl) dipropyl phosphate"@en ;
dbo:pubchem "23717"^^xsd:int ;
dbo:smiles "CCCOP(=O)(OCCC)OC1=CC=C(C=C1)SC" ;
dbp:inchikey "PWYIUEFFPNVCMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propfs" ;
skos:prefLabel "propafos"@nl .
csc:LBCZOTMMGHGTPH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24775 ;
dbo:casNumber "53663-54-0" , "77137-66-7" , "63172-50-9" , "54834-97-8" , "39341-03-2" , "52628-05-4" , "50815-48-0" , "71538-51-7" , "39316-46-6" , "141443-66-5" , "11130-43-1" , "59112-84-4" , "9036-19-5" , "188612-22-8" , "68310-57-6" , "9081-83-8" , "55600-46-9" , "58056-95-4" , "120026-27-9" , "53858-66-5" , "1336-60-3" , "12679-74-2" , "39320-65-5" , "39283-49-3" , "73904-96-8" ;
dbo:formula "C18H30O3" ;
dbo:inchi "InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3" ;
dbo:iupacName "2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol"@en ;
dbo:pubchem "24775"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO" ;
dbp:inchikey "LBCZOTMMGHGTPH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8yfOxplC2ox" ;
skos:prefLabel "octylfenoxypolyethoxyethanol"@nl .
csc:AKNQMEBLVAMSNZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:43233 ;
dbo:casNumber "60207-31-0" ;
dbo:formula "C12H11Cl2N3O2" ;
dbo:inchi "InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2" ;
dbo:iupacName "1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "43233"^^xsd:int ;
dbo:smiles "C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "AKNQMEBLVAMSNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azacnzl" ;
skos:prefLabel "azaconazool"@nl .
csc:WPNHOHPRXXCPRA-TVXIRPTOSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6450531 ;
dbo:casNumber "159628-36-1" , "123997-26-2" ;
dbo:formula "C49H73NO14" ;
dbo:inchi "InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1" ;
dbo:iupacName "N-[(2S,3R,4R,6S)-6-[(2S,3R,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide"@en ;
dbo:pubchem "6450531"^^xsd:int ;
dbo:smiles "CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)NC(=O)C)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O" ;
dbp:inchikey "WPNHOHPRXXCPRA-TVXIRPTOSA-N" ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "epnmtn" ;
skos:prefLabel "eprinomectin"@nl .
csc:JQZFYIGAYWLRCC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9632 ;
dbo:casNumber "354-25-6" ;
dbo:formula "C2HClF4" ;
dbo:inchi "InChI=1S/C2HClF4/c3-2(6,7)1(4)5/h1H" ;
dbo:iupacName "1-Chloro-1,1,2,2-tetrafluoroethane"@en ;
dbo:pubchem "9632"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(F)F" ;
dbp:inchikey "JQZFYIGAYWLRCC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK124a" ;
skos:prefLabel "1-chloor-1,1,2,2-tetrafluorethaan"@nl .
csc:XDNBJTQLKCIJBV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8292 ;
dbo:casNumber "115-90-2" ;
dbo:formula "C11H17O4PS2" ;
dbo:inchi "InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3" ;
dbo:iupacName "diethoxy-(4-methylsulfinylphenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "8292"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C" ;
dbp:inchikey "XDNBJTQLKCIJBV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fensfton" ;
skos:prefLabel "fensulfothion"@nl .
csc:RIOXQFHNBCKOKP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:28780 ;
dbo:casNumber "52683-56-4" , "39357-40-9" , "17804-35-2" ;
dbo:formula "C14H18N4O3" ;
dbo:inchi "InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)" ;
dbo:iupacName "methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate"@en ;
dbo:pubchem "28780"^^xsd:int ;
dbo:smiles "CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC" ;
dbp:inchikey "RIOXQFHNBCKOKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004711 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benml" ;
skos:prefLabel "benomyl"@nl .
csc:JEYJJJXOFWNEHN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:42140 ;
dbo:casNumber "57117-44-9" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H" ;
dbo:iupacName "1,2,3,6,7,8-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "42140"^^xsd:int ;
dbo:smiles "C1=C2C3=C(C(=C(C=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "JEYJJJXOFWNEHN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,6,7,8-hexachloordibenzofuran"@nl , " 1,2,3,6,7,8-hexachloordibenzofuraan"@nl , "1,2,3,6,7,8-hexachloordibenzofuraan"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_57117-44-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF121" ;
skos:prefLabel "1,2,3,6,7,8-hexachloordibenzofuraan (hxcdf)"@nl ;
vcs:vmmParameterId "1241"^^xsd:int .
csc:VNEBWJSWMVTSHK-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8673 ;
dbo:casNumber "135-51-3" , "148-75-4" , "39301-76-3" ;
dbo:formula "C10H6Na2O7S2" ;
dbo:inchi "InChI=1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2" ;
dbo:iupacName "disodium 3-hydroxynaphthalene-2,7-disulfonate"@en ;
dbo:pubchem "8673"^^xsd:int ;
dbo:smiles "C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]" ;
dbp:inchikey "VNEBWJSWMVTSHK-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3HOxNaf27Dsf" ;
skos:prefLabel "3-hydroxynaftaleen-2,7-disulfonzuur"@nl .
csc:SKDFWEPBABSFMG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15442 ;
dbo:casNumber "1649-08-7" , "25915-78-0" ;
dbo:formula "C2H2Cl2F2" ;
dbo:inchi "InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2" ;
dbo:iupacName "1,2-DICHLORO-1,1-DIFLUOROETHANE"@en ;
dbo:pubchem "15442"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)Cl" ;
dbp:inchikey "SKDFWEPBABSFMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK132b" ;
skos:prefLabel "1,2-dichloor-1,1-difluorethaan"@nl .
csc:HUWXDEQWWKGHRV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7070 ;
dbo:casNumber "91-94-1" , "86349-58-8" ;
dbo:formula "C12H10Cl2N2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2" ;
dbo:iupacName "4-(4-amino-3-chlorophenyl)-2-chloroaniline"@en ;
dbo:pubchem "7070"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N" ;
dbp:inchikey "HUWXDEQWWKGHRV-UHFFFAOYSA-N" ;
skos:altLabel "3,3'-dichloorbenzidine"@nl ;
skos:broader csc:CHEMONTID_0003956 ;
skos:exactMatch wise:CAS_91-94-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DClbzdne" ;
skos:prefLabel "3,3\uFFFD-dichloorbenzidine"@nl ;
vcs:vmmParameterId "474"^^xsd:int .
csc:LCXMEXLGMKFLQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:38019 ;
dbo:casNumber "38380-08-4" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "38019"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "LCXMEXLGMKFLQO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb 156"@nl , "2,3,3',4,4',5-hexachloorbifenyl"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_38380-08-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB156" ;
skos:prefLabel "PCB 156"@nl ;
vcs:vmmParameterId "1372"^^xsd:int .
csc:TVYLLZQTGLZFBW-ZBFHGGJFSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:33741 ;
dbo:casNumber "27203-92-5" ;
dbo:formula "C16H25NO2" ;
dbo:inchi "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1" ;
dbo:iupacName "(1R,2R)-2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol"@en ;
dbo:pubchem "33741"^^xsd:int ;
dbo:smiles "CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O" ;
dbp:inchikey "TVYLLZQTGLZFBW-ZBFHGGJFSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tramdl" ;
skos:prefLabel "tramadol"@nl .
csc:FZTRDYSPWWJCOF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14250578 ;
dbo:casNumber "57678-01-0" ;
dbo:formula "C8H6F13O4P" ;
dbo:inchi "InChI=1S/C8H6F13O4P/c9-3(10,1-2-25-26(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)" ;
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate"@en ;
dbo:pubchem "14250578"^^xsd:int ;
dbo:smiles "C(COP(=O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "FZTRDYSPWWJCOF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003458 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6:2 PAP" ;
skos:prefLabel "6:2 fluortelomeerfosfaat monoester"@nl .
csc:SQFLFRQWPBEDHM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6975 ;
dbo:casNumber "89-59-8" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3" ;
dbo:iupacName "4-chloro-1-methyl-2-nitrobenzene"@en ;
dbo:pubchem "6975"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "SQFLFRQWPBEDHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_89-59-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2NO2Tol" ;
skos:prefLabel "4-chloor-2-nitrotolueen"@nl ;
vcs:vmmParameterId "362"^^xsd:int .
csc:RXVCHKFNBPFYCC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6451507 ;
dbo:casNumber "3053-85-8" ;
dbo:formula "C9H12N2O5S" ;
dbo:inchi "InChI=1S/C9H12N2O5S/c1-9(2)4(7(14)15)11-5(17-9)3(6(12)13)10-8(11)16/h3-5H,1-2H3,(H,10,16)(H,12,13)(H,14,15)" ;
dbo:iupacName "2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid"@en ;
dbo:pubchem "6451507"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(NC2=O)C(=O)O)C(=O)O)C" ;
dbp:inchikey "RXVCHKFNBPFYCC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "8-HPA" ;
skos:prefLabel "8-hydroxypennelic acid"@nl .
csc:YWHLKYXPLRWGSE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19310 ;
dbo:casNumber "3658-80-8" , "85931-54-0" ;
dbo:formula "C2H6S3" ;
dbo:inchi "InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3" ;
dbo:iupacName "methylsulfanyldisulfanylmethane"@en ;
dbo:pubchem "19310"^^xsd:int ;
dbo:smiles "CSSSC" ;
dbp:inchikey "YWHLKYXPLRWGSE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002799 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yTS" ;
skos:prefLabel "dimethyltrisulfide"@nl .
csc:YASYVMFAVPKPKE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1982 ;
dbo:casNumber "115096-11-2" , "30560-19-1" ;
dbo:formula "C4H10NO3PS" ;
dbo:inchi "InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)" ;
dbo:iupacName "N-(methoxy-methylsulfanylphosphoryl)acetamide"@en ;
dbo:pubchem "1982"^^xsd:int ;
dbo:smiles "CC(=O)NP(=O)(OC)SC" ;
dbp:inchikey "YASYVMFAVPKPKE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acft" ;
skos:prefLabel "acefaat"@nl .
csc:VVQNEPGJFQJSBK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6658 ;
dbo:casNumber "80-62-6" , "162221-54-7" , "220713-32-6" , "9065-11-6" ;
dbo:formula "C5H8O2" ;
dbo:inchi "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" ;
dbo:iupacName "methyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "6658"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)OC" ;
dbp:inchikey "VVQNEPGJFQJSBK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_004 , co:LUC_IV_012 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0003626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1ymtclt" ;
skos:prefLabel "methylmethacrylaat"@nl .
csc:QAOJBHRZQQDFHA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5765 ;
dbo:casNumber "50-45-3" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)" ;
dbo:iupacName "2,3-DICHLOROBENZOIC ACID"@en ;
dbo:pubchem "5765"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C(=O)O" ;
dbp:inchikey "QAOJBHRZQQDFHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClBencbzr" ;
skos:prefLabel "2,3-dichloorbenzeencarbonzuur"@nl .
csc:VHRGRCVQAFMJIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:273 ;
dbo:casNumber "462-94-2" ;
dbo:formula "C5H14N2" ;
dbo:inchi "InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2" ;
dbo:iupacName "PENTANE-1,5-DIAMINE"@en ;
dbo:pubchem "273"^^xsd:int ;
dbo:smiles "C(CCN)CCN" ;
dbp:inchikey "VHRGRCVQAFMJIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "15C5aDAe" ;
skos:prefLabel "1,5-pentaandiamine"@nl .
csc:KZJWDPNRJALLNS-VJSFXXLFSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:222284 ;
dbo:casNumber "83-46-5" ;
dbo:formula "C29H50O" ;
dbo:inchi "InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1" ;
dbo:iupacName "(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "222284"^^xsd:int ;
dbo:smiles "CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C" ;
dbp:inchikey "KZJWDPNRJALLNS-VJSFXXLFSA-N" ;
skos:broader csc:CHEMONTID_0002031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bsitsrl" ;
skos:prefLabel "beta-sitosterol"@nl .
csc:GNOIPBMMFNIUFM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12679 ;
dbo:casNumber "51557-01-8" , "24992-55-0" , "630-31-9" , "680-31-9" ;
dbo:formula "C6H18N3OP" ;
dbo:inchi "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" ;
dbo:iupacName "['N-bis(dimethylamino)phosphoryl-N-methylmethanamine', 'tris(dimethylamino)-hydroxyphosphanium']"@en ;
dbo:pubchem "12679"^^xsd:int ;
dbo:smiles "CN(C)P(=O)(N(C)C)N(C)C" ;
dbp:inchikey "GNOIPBMMFNIUFM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001204 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yPAd" ;
skos:prefLabel "hexamethylfosforamide"@nl .
csc:PORQOHRXAJJKGK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91688 ;
dbo:casNumber "64359-81-5" ;
dbo:formula "C11H17Cl2NOS" ;
dbo:inchi "InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3" ;
dbo:iupacName "4,5-dichloro-2-octyl-1,2-thiazol-3-one"@en ;
dbo:pubchem "91688"^^xsd:int ;
dbo:smiles "CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl" ;
dbp:inchikey "PORQOHRXAJJKGK-UHFFFAOYSA-N" ;
skos:altLabel "4,5-dichloor-2-octyl-2h-isothiazool-3-on"@nl ;
skos:broader csc:CHEMONTID_0001030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "45DCl2C8y2Hi" ;
skos:prefLabel "4,5-dichloor-2-octyl-2H-isothiazool-3-on"@nl .
csc:XCZCWGVXRBJCCD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8638 ;
dbo:casNumber "134-29-2" ;
dbo:formula "C7H10ClNO" ;
dbo:inchi "InChI=1S/C7H9NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H" ;
dbo:iupacName "2-Methoxyaniline hydrochloride"@en ;
dbo:pubchem "8638"^^xsd:int ;
dbo:smiles "COC1=CC=CC=C1N.Cl" ;
dbp:inchikey "XCZCWGVXRBJCCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ansdnHCl" ;
skos:prefLabel "2-anisidine hydrochloride"@nl .
csc:RQVGAIADHNPSME-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17531 ;
dbo:casNumber "2642-71-9" ;
dbo:formula "C12H16N3O3PS2" ;
dbo:inchi "InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one"@en ;
dbo:pubchem "17531"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1" ;
dbp:inchikey "RQVGAIADHNPSME-UHFFFAOYSA-N" ;
skos:altLabel "azinfos-ethyl"@nl ;
skos:broader csc:CHEMONTID_0004660 ;
skos:exactMatch wise:CAS_2642-71-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yazfs" ;
skos:prefLabel "ethylazinfos"@nl ;
vcs:vmmParameterId "393"^^xsd:int .
csc:QMLVECGLEOSESV-RYUDHWBXSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:71335 ;
dbo:casNumber "112398-08-0" ;
dbo:formula "C19H20FN3O3" ;
dbo:inchi "InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1" ;
dbo:iupacName "1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid"@en ;
dbo:pubchem "71335"^^xsd:int ;
dbo:smiles "CN1CC2CC1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F" ;
dbp:inchikey "QMLVECGLEOSESV-RYUDHWBXSA-N" ;
skos:altLabel "danofloxacine"@nl ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "danfxcn" ;
skos:prefLabel "danofloxacin"@nl .
csc:YKBZOVFACRVRJN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:197701 ;
dbo:casNumber "165252-70-0" ;
dbo:formula "C7H14N4O3" ;
dbo:inchi "InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)" ;
dbo:iupacName "2-methyl-3-nitro-1-(oxolan-3-ylmethyl)guanidine"@en ;
dbo:pubchem "197701"^^xsd:int ;
dbo:smiles "CN=C(NCC1CCOC1)N[N+](=O)[O-]" ;
dbp:inchikey "YKBZOVFACRVRJN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004667 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dntfrn" ;
skos:prefLabel "dinotefuran"@nl .
csc:WXNZTHHGJRFXKQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4684 ;
dbo:casNumber "106-48-9" ;
dbo:formula "C6H5ClO" ;
dbo:inchi "InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H" ;
dbo:iupacName "4-Chlorophenol"@en ;
dbo:pubchem "4684"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1O)Cl" ;
dbp:inchikey "WXNZTHHGJRFXKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_106-48-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClFol" ;
skos:prefLabel "4-chloorfenol"@nl ;
vcs:vmmParameterId "364"^^xsd:int .
csc:LRUDIIUSNGCQKF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8705 ;
dbo:casNumber "136-85-6" , "49636-02-4" ;
dbo:formula "C7H7N3" ;
dbo:inchi "InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)" ;
dbo:iupacName "5-methyl-2H-benzotriazole"@en ;
dbo:pubchem "8705"^^xsd:int ;
dbo:smiles "CC1=CC2=NNN=C2C=C1" ;
dbp:inchikey "LRUDIIUSNGCQKF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1y1Hbztazl" ;
skos:prefLabel "5-methyl-1H-benzotriazool"@nl .
csc:SGTNSNPWRIOYBX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2520 ;
dbo:casNumber "52-53-9" , "56949-77-0" ;
dbo:formula "C27H38N2O4" ;
dbo:inchi "InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3" ;
dbo:iupacName "2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile"@en ;
dbo:pubchem "2520"^^xsd:int ;
dbo:smiles "CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC" ;
dbp:inchikey "SGTNSNPWRIOYBX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000014 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "verpml" ;
skos:prefLabel "verapamil"@nl .
csc:LGHZJDKSVUTELU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3078139 ;
dbo:casNumber "120068-36-2" ;
dbo:formula "C12H4Cl2F6N4O2S" ;
dbo:inchi "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" ;
dbo:iupacName "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile"@en ;
dbo:pubchem "3078139"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F" ;
dbp:inchikey "LGHZJDKSVUTELU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fipnsfn" ;
skos:prefLabel "fipronil-sulfon"@nl .
csc:LJOZMWRYMKECFF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27195 ;
dbo:casNumber "15310-01-7" ;
dbo:formula "C13H10INO" ;
dbo:inchi "InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)" ;
dbo:iupacName "2-Iodo-N-phenylbenzamide"@en ;
dbo:pubchem "27195"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2I" ;
dbp:inchikey "LJOZMWRYMKECFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benodnl" ;
skos:prefLabel "benodanil"@nl .
csc:CSCPPACGZOOCGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:180 ;
dbo:casNumber "67-64-1" ;
dbo:formula "C3H6O" ;
dbo:inchi "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" ;
dbo:iupacName "propan-2-one"@en ;
dbo:pubchem "180"^^xsd:int ;
dbo:smiles "CC(=O)C" ;
dbp:inchikey "CSCPPACGZOOCGX-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_007 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actn" ;
skos:prefLabel "aceton"@nl .
csc:KIDWGGCIROEJJW-GQCTYLIASA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6399420 ;
dbo:casNumber "30558-43-1" ;
dbo:formula "C5H10N2O2S" ;
dbo:inchi "InChI=1S/C5H10N2O2S/c1-7(2)5(8)4(6-9)10-3/h9H,1-3H3/b6-4+" ;
dbo:iupacName "(2E)-2-hydroxyimino-N,N-dimethyl-2-methylsulfanylacetamide"@en ;
dbo:pubchem "6399420"^^xsd:int ;
dbo:smiles "CN(C)C(=O)C(=NO)SC" ;
dbp:inchikey "KIDWGGCIROEJJW-GQCTYLIASA-N" ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OamOxme" ;
skos:prefLabel "oxamyl-oxime"@nl .
csc:LOJHHQNEBFCTQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20129 ;
dbo:casNumber "157967-88-9" , "4169-04-4" , "38600-05-4" ;
dbo:formula "C9H12O2" ;
dbo:inchi "InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3" ;
dbo:iupacName "2-(phenoxy)propan-1-ol"@en ;
dbo:pubchem "20129"^^xsd:int ;
dbo:smiles "CC(CO)OC1=CC=CC=C1" ;
dbp:inchikey "LOJHHQNEBFCTQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2fenOx1C3ol" ;
skos:prefLabel "2-fenoxy-1-propanol"@nl .
csc:XZZNDPSIHUTMOC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8289 ;
dbo:casNumber "115-86-6" , "402955-02-6" ;
dbo:formula "C18H15O4P" ;
dbo:inchi "InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H" ;
dbo:iupacName "['Triphenyl phosphate', 'hydroxy-tris(phenoxy)phosphanium']"@en ;
dbo:pubchem "8289"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "XZZNDPSIHUTMOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFyPO4" ;
skos:prefLabel "trifenylfosfaat"@nl .
csc:FTNJWQUOZFUQQJ-NDAWSKJSSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281303 ;
dbo:casNumber "11141-17-6" ;
dbo:formula "C35H44O16" ;
dbo:inchi "InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1" ;
dbo:iupacName "dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate"@en ;
dbo:pubchem "5281303"^^xsd:int ;
dbo:smiles "CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C" ;
dbp:inchikey "FTNJWQUOZFUQQJ-NDAWSKJSSA-N" ;
skos:broader csc:CHEMONTID_0002380 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azdrtn" ;
skos:prefLabel "azadirachtin"@nl .
csc:AGKSTYPVMZODRV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93483 ;
dbo:casNumber "86598-92-7" ;
dbo:formula "C17H13Cl3N4S" ;
dbo:inchi "InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2" ;
dbo:iupacName "1-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimine"@en ;
dbo:pubchem "93483"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl" ;
dbp:inchikey "AGKSTYPVMZODRV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imbcnzl" ;
skos:prefLabel "imibenconazool"@nl .
csc:MGWAVDBGNNKXQV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6782 ;
dbo:casNumber "68955-80-6" , "84-69-5" , "68951-39-3" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3" ;
dbo:iupacName "bis(2-methylpropyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6782"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C" ;
dbp:inchikey "MGWAVDBGNNKXQV-UHFFFAOYSA-N" ;
skos:altLabel "di-isobutylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_84-69-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC4yFt" ;
skos:prefLabel "diisobutylftalaat"@nl ;
vcs:vmmParameterId "66"^^xsd:int .
csc:CXGONMQFMIYUJR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:67545 ;
dbo:casNumber "307-55-1" ;
dbo:formula "C12HF23O2" ;
dbo:inchi "InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid"@en ;
dbo:pubchem "67545"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "CXGONMQFMIYUJR-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-dodecaanzuur (pfdoda)"@nl , "perfluor-n-dodecaanzuur"@nl , "perfluordodecaanzuur (pfdoda)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFDoA" , "PFDoDA" ;
skos:prefLabel "perfluordodecaanzuur"@nl .
csc:DGAIEPBNLOQYER-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3736 ;
dbo:casNumber "73334-07-3" ;
dbo:formula "C18H24I3N3O8" ;
dbo:inchi "InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)" ;
dbo:iupacName "N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N'-methylbenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "3736"^^xsd:int ;
dbo:smiles "CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I" ;
dbp:inchikey "DGAIEPBNLOQYER-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jopmde" ;
skos:prefLabel "jopromide"@nl .
csc:LFULEKSKNZEWOE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4933 ;
dbo:casNumber "709-98-8" , "11096-32-5" , "110343-36-7" ;
dbo:formula "C9H9Cl2NO" ;
dbo:inchi "InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)" ;
dbo:iupacName "N-(3,4-Dichlorophenyl)propanamide"@en ;
dbo:pubchem "4933"^^xsd:int ;
dbo:smiles "CCC(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "LFULEKSKNZEWOE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_709-98-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propnl" ;
skos:prefLabel "propanil"@nl ;
vcs:vmmParameterId "231"^^xsd:int .
csc:GSDSWSVVBLHKDQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4583 ;
dbo:casNumber "83380-47-6" , "85344-55-4" , "82419-36-1" ;
dbo:formula "C18H20FN3O4" ;
dbo:inchi "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)" ;
dbo:iupacName "7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid"@en ;
dbo:pubchem "4583"^^xsd:int ;
dbo:smiles "CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O" ;
dbp:inchikey "GSDSWSVVBLHKDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ofxcne" ;
skos:prefLabel "ofloxacine"@nl .
csc:PHNUZKMIPFFYSO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32154 ;
dbo:casNumber "66393-62-2" , "11097-12-4" , "23950-58-5" , "11097-11-3" ;
dbo:formula "C12H11Cl2NO" ;
dbo:inchi "InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)" ;
dbo:iupacName "3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide"@en ;
dbo:pubchem "32154"^^xsd:int ;
dbo:smiles "CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl" ;
dbp:inchikey "PHNUZKMIPFFYSO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003099 ;
skos:exactMatch wise:CAS_23950-58-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propAd" ;
skos:prefLabel "propyzamide"@nl ;
vcs:vmmParameterId "1036"^^xsd:int .
csc:LULLIKNODDLMDQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104734 ;
dbo:casNumber "22541-54-4" ;
dbo:formula "As+3" ;
dbo:inchi "InChI=1S/As/q+3" ;
dbo:iupacName "arsenic(+3) cation"@en ;
dbo:pubchem "104734"^^xsd:int ;
dbo:smiles "[As+3]" ;
dbp:inchikey "LULLIKNODDLMDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AsIII" ;
skos:prefLabel "arseen (driewaardig)"@nl .
csc:CYTYCFOTNPOANT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'tetrachloorethyleen'"@nl , "VLAR II Art. 5.4.3.1.4 'perchloorethyleen'"@nl , " (PER bij droogkuis), 'tetrachloorethyleen', 'tetrachloorethyleen'"@nl ;
rdfs:seeAlso compound:31373 ;
dbo:casNumber "127-18-4" ;
dbo:formula "C2Cl4" ;
dbo:inchi "InChI=1S/C2Cl4/c3-1(4)2(5)6" ;
dbo:iupacName "1,1,2,2-Tetrachloroethene"@en ;
dbo:pubchem "31373"^^xsd:int ;
dbo:smiles "C(=C(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "CYTYCFOTNPOANT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_II_002 , co:LUC_IV_000 , co:LUC_IV_002 ;
skos:altLabel "tetrachlooretheen"@nl , "per (perchloorethyleen)"@nl , "tetrachlooretheen (per)"@nl , "tetrachloorethyleen (per)"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_127-18-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4ClC2e" ;
skos:prefLabel "PER (perchloorethyleen)"@nl ;
vcs:vmmParameterId "382"^^xsd:int .
csc:QAOWNCQODCNURD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'"@nl , "VLAR III (D3) 'zwavelzuur'"@nl ;
rdfs:seeAlso compound:1118 ;
dbo:casNumber "13537-15-0" , "7664-93-9" , "12772-98-4" , "140623-70-7" , "119540-51-1" , "127529-01-5" ;
dbo:formula "H2O4S" ;
dbo:inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)" ;
dbo:iupacName "Sulfuric acid"@en ;
dbo:pubchem "1118"^^xsd:int ;
dbo:smiles "OS(=O)(=O)O" ;
dbp:inchikey "QAOWNCQODCNURD-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_008 ;
skos:altLabel "zwavelzuur (h2so4)"@nl , "zwavelzuur"@nl ;
skos:broader csc:CHEMONTID_0001077 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H2SO4" ;
skos:prefLabel "zwavelzuur (H2SO4)"@nl .
csc:WRZOMWDJOLIVQP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7260 ;
dbo:casNumber "95-79-4" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3" ;
dbo:iupacName "5-Chloro-2-methylaniline"@en ;
dbo:pubchem "7260"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)Cl)N" ;
dbp:inchikey "WRZOMWDJOLIVQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5Cl2C1yAn" ;
skos:prefLabel "5-chloor-2-methylaniline"@nl .
csc:KLGMSAOQDHLCOS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17434 ;
dbo:casNumber "2595-54-2" ;
dbo:formula "C10H20NO5PS2" ;
dbo:inchi "InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3" ;
dbo:iupacName "ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate"@en ;
dbo:pubchem "17434"^^xsd:int ;
dbo:smiles "CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC" ;
dbp:inchikey "KLGMSAOQDHLCOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mecbm" ;
skos:prefLabel "mecarbam"@nl .
csc:SNMVRZFUUCLYTO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10899 ;
dbo:casNumber "540-54-5" ;
dbo:formula "C3H7Cl" ;
dbo:inchi "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" ;
dbo:iupacName "1-CHLOROPROPANE"@en ;
dbo:pubchem "10899"^^xsd:int ;
dbo:smiles "CCCCl" ;
dbp:inchikey "SNMVRZFUUCLYTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClC3a" ;
skos:prefLabel "1-chloorpropaan"@nl .
csc:JRMUNVKIHCOMHV-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74236 ;
dbo:casNumber "65129-09-1" , "1643-19-2" , "65129-13-7" ;
dbo:formula "C16H36BrN" ;
dbo:inchi "InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetrabutylazanium bromide"@en ;
dbo:pubchem "74236"^^xsd:int ;
dbo:smiles "CCCC[N+](CCCC)(CCCC)CCCC.[Br-]" ;
dbp:inchikey "JRMUNVKIHCOMHV-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C4yNH4Br" ;
skos:prefLabel "tetrabutylammonium bromide"@nl .
csc:XJIXIEBYTLLFCV-FAISOMDOSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436139 ;
dbo:casNumber "6211-15-0" , "92004-19-8" , "57-27-2" , "66591-53-5" ;
dbo:formula "C17H31NO12S" ;
dbo:inchi "InChI=1S/C17H19NO3.H2O4S.5H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t10-,11+,13-,16-,17-;;;;;;/m0....../s1" ;
dbo:iupacName "(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;sulfuric acid;pentahydrate"@en ;
dbo:pubchem "6436139"^^xsd:int ;
dbo:smiles "CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.O.O.O.O.O.OS(=O)(=O)O" ;
dbp:inchikey "XJIXIEBYTLLFCV-FAISOMDOSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "morfne" ;
skos:prefLabel "morfine"@nl .
csc:WSSMOXHYUFMBLS-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:26063 ;
dbo:casNumber "7758-94-3" , "13478-10-9" ;
dbo:formula "Cl2FeH8O4" ;
dbo:inchi "InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2" ;
dbo:iupacName "iron(2+);dichloride;tetrahydrate"@en ;
dbo:pubchem "26063"^^xsd:int ;
dbo:smiles "O.O.O.O.[Cl-].[Cl-].[Fe+2]" ;
dbp:inchikey "WSSMOXHYUFMBLS-UHFFFAOYSA-L" ;
skos:altLabel "ijzer(II)chloride"@nl ;
skos:broader csc:CHEMONTID_0000588 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeCl2" ;
skos:prefLabel "ijzer(ii)chloride"@nl .
csc:NIJJYAXOARWZEE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3121 ;
dbo:casNumber "99-66-1" , "117039-65-3" ;
dbo:formula "C8H16O2" ;
dbo:inchi "InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" ;
dbo:iupacName "2-Propylpentanoic acid"@en ;
dbo:pubchem "3121"^^xsd:int ;
dbo:smiles "CCCC(CCC)C(=O)O" ;
dbp:inchikey "NIJJYAXOARWZEE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003544 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "valpinzr" ;
skos:prefLabel "valproinezuur"@nl .
csc:JCVAWLVWQDNEGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:190009 ;
dbo:casNumber "63665-16-7" ;
dbo:formula "C10H25NO5S" ;
dbo:inchi "InChI=1S/C6H15NO2.C4H8O2S.H2O/c1-5(8)3-7-4-6(2)9;5-7(6)3-1-2-4-7;/h5-9H,3-4H2,1-2H3;1-4H2;1H2" ;
dbo:iupacName "1-(2-hydroxypropylamino)propan-2-ol; thiolane 1,1-dioxide; hydrate"@en ;
dbo:pubchem "190009"^^xsd:int ;
dbo:smiles "CC(CNCC(C)O)O.C1CCS(=O)(=O)C1.O" ;
dbp:inchikey "JCVAWLVWQDNEGS-UHFFFAOYSA-N" ;
skos:altLabel "sulfinol D"@nl ;
skos:broader csc:CHEMONTID_0000233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfnD" ;
skos:prefLabel "sulfinol d"@nl .
csc:LMCOQDVJBWVNNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7395 ;
dbo:casNumber "98-57-7" ;
dbo:formula "C7H7ClO2S" ;
dbo:inchi "InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3" ;
dbo:iupacName "1-chloro-4-methylsulfonylbenzene"@en ;
dbo:pubchem "7395"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC=C(C=C1)Cl" ;
dbp:inchikey "LMCOQDVJBWVNNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Cl4C1ysfnBe" ;
skos:prefLabel "1-chloor-4-(methylsulfonyl)benzeen"@nl .
csc:MLKCGVHIFJBRCD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86222 ;
dbo:casNumber "128639-02-1" ;
dbo:formula "C15H14Cl2F3N3O3" ;
dbo:inchi "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" ;
dbo:iupacName "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate"@en ;
dbo:pubchem "86222"^^xsd:int ;
dbo:smiles "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" ;
dbp:inchikey "MLKCGVHIFJBRCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carftznC2y" ;
skos:prefLabel "carfentrazon-ethyl"@nl .
csc:OHMHBGPWCHTMQE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9385 ;
dbo:casNumber "306-83-2" ;
dbo:formula "C2HCl2F3" ;
dbo:inchi "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" ;
dbo:iupacName "2,2-DICHLORO-1,1,1-TRIFLUOROETHANE"@en ;
dbo:pubchem "9385"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(Cl)Cl" ;
dbp:inchikey "OHMHBGPWCHTMQE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK123" ;
skos:prefLabel "2,2-dichloor-1,1,1-trifluorethaan"@nl .
csc:QTTRZHGPGKRAFB-PAIWTFDUSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:39507 ;
dbo:casNumber "49697-38-3" ;
dbo:formula "C24H34O3" ;
dbo:inchi "InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17?,18?,19+,21?,22+,23+,24-/m1/s1" ;
dbo:iupacName "(10R,11S,13S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "39507"^^xsd:int ;
dbo:smiles "CCC(=O)C1(C(CC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C)C" ;
dbp:inchikey "QTTRZHGPGKRAFB-PAIWTFDUSA-N" ;
skos:broader csc:CHEMONTID_0003058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rimoln" ;
skos:prefLabel "rimexolon"@nl .
csc:QRUDEWIWKLJBPS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7220 ;
dbo:casNumber "94160-69-7" , "95-14-7" , "25377-81-5" , "28880-01-5" , "116421-31-9" , "70644-74-5" , "27556-51-0" , "273-02-9" ;
dbo:formula "C6H5N3" ;
dbo:inchi "InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)" ;
dbo:iupacName "2H-Benzotriazole"@en ;
dbo:pubchem "7220"^^xsd:int ;
dbo:smiles "C1=CC2=NNN=C2C=C1" ;
dbp:inchikey "QRUDEWIWKLJBPS-UHFFFAOYSA-N" ;
skos:altLabel "benzotriazool"@nl ;
skos:broader csc:CHEMONTID_0000315 ;
skos:exactMatch wise:CAS_95-14-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123benztazl" ;
skos:prefLabel "1,2,3-benzotriazool"@nl ;
vcs:vmmParameterId "2147"^^xsd:int .
csc:OWZREIFADZCYQD-DXCJPMOASA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:47354 ;
dbo:casNumber "64363-96-8" ;
dbo:formula "C22H19Br2NO3" ;
dbo:inchi "InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20-/m0/s1" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "47354"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C" ;
dbp:inchikey "OWZREIFADZCYQD-DXCJPMOASA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tdmtn" ;
skos:prefLabel "trans-deltamethrin"@nl .
csc:KLOZZZNFJYMTNE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:98564 ;
dbo:casNumber "66073-54-9" ;
dbo:formula "C7H5ClFNO" ;
dbo:inchi "InChI=1S/C7H5ClFNO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" ;
dbo:iupacName "2-Chloro-6-fluorobenzamide"@en ;
dbo:pubchem "98564"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=O)N)F" ;
dbp:inchikey "KLOZZZNFJYMTNE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003098 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6FBenAd" ;
skos:prefLabel "2-chloor-6-fluorbenzamide"@nl .
csc:PHTQWCKDNZKARW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31260 ;
dbo:casNumber "6423-06-9" , "123-51-3" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "3-Methylbutan-1-ol"@en ;
dbo:pubchem "31260"^^xsd:int ;
dbo:smiles "CC(C)CCO" ;
dbp:inchikey "PHTQWCKDNZKARW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1y1C4ol" ;
skos:prefLabel "3-methylbutan-1-ol"@nl .
csc:KFSLWBXXFJQRDL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6585 ;
dbo:casNumber "89370-71-8" , "79-21-0" ;
dbo:formula "C2H4O3" ;
dbo:inchi "InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3" ;
dbo:iupacName "Ethaneperoxoic acid"@en ;
dbo:pubchem "6585"^^xsd:int ;
dbo:smiles "CC(=O)OO" ;
dbp:inchikey "KFSLWBXXFJQRDL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002446 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "perOxHAc" ;
skos:prefLabel "peroxyazijnzuur"@nl .
csc:PRLINSMUYJWPBL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7380 ;
dbo:casNumber "98-28-2" ;
dbo:formula "C10H13ClO" ;
dbo:inchi "InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3" ;
dbo:iupacName "4-tert-Butyl-2-chlorophenol"@en ;
dbo:pubchem "7380"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)O)Cl" ;
dbp:inchikey "PRLINSMUYJWPBL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2-chloor-4-tert-butylfenol"@nl .
csc:OCJBOOLMMGQPQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:4685 ;
dbo:casNumber "106-46-7" , "73513-56-1" ;
dbo:formula "C6H4Cl2" ;
dbo:inchi "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H" ;
dbo:iupacName "1,4-Dichlorobenzene"@en ;
dbo:pubchem "4685"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1Cl)Cl" ;
dbp:inchikey "OCJBOOLMMGQPQU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 ;
skos:altLabel "1,4-dichloorbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_106-46-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DClBen" ;
skos:prefLabel "1,4-dichloorbenzeen "@nl ;
vcs:vmmParameterId "328"^^xsd:int .
csc:CKBRQZNRCSJHFT-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:167472 ;
dbo:casNumber "15840-03-6" ;
dbo:formula "Es" ;
dbo:inchi "InChI=1S/Es/i1+2" ;
dbo:iupacName "einsteinium-254"@en ;
dbo:pubchem "167472"^^xsd:int ;
dbo:smiles "[Es]" ;
dbp:inchikey "CKBRQZNRCSJHFT-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Es254" ;
skos:prefLabel "einsteinium 254"@nl .
csc:UUIQMZJEGPQKFD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12180 ;
dbo:casNumber "623-42-7" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" ;
dbo:iupacName "Methyl butanoate"@en ;
dbo:pubchem "12180"^^xsd:int ;
dbo:smiles "CCCC(=O)OC" ;
dbp:inchikey "UUIQMZJEGPQKFD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC4yat" ;
skos:prefLabel "methylbutylaat"@nl .
csc:ZOMSMJKLGFBRBS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2328 ;
dbo:casNumber "12705-05-4" , "25057-89-0" , "58856-82-9" , "21723-40-0" ;
dbo:formula "C10H12N2O3S" ;
dbo:inchi "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" ;
dbo:iupacName "2,2-dioxo-3-propan-2-yl-1H-benzo[d][1,2,6]thiadiazin-4-one"@en ;
dbo:pubchem "2328"^^xsd:int ;
dbo:smiles "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" ;
dbp:inchikey "ZOMSMJKLGFBRBS-UHFFFAOYSA-N" ;
skos:altLabel "bentazone"@nl ;
skos:broader csc:CHEMONTID_0002448 ;
skos:exactMatch wise:CAS_25057-89-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bentzn" ;
skos:prefLabel "bentazon"@nl ;
vcs:vmmParameterId "456"^^xsd:int .
csc:YGYAWVDWMABLBF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6371 ;
dbo:casNumber "75-44-5" ;
dbo:formula "CCl2O" ;
dbo:inchi "InChI=1S/CCl2O/c2-1(3)4" ;
dbo:iupacName "Carbonyl dichloride"@en ;
dbo:pubchem "6371"^^xsd:int ;
dbo:smiles "C(=O)(Cl)Cl" ;
dbp:inchikey "YGYAWVDWMABLBF-UHFFFAOYSA-N" ;
skos:altLabel "fosgeen"@nl ;
skos:broader csc:CHEMONTID_0000550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosgn" ;
skos:prefLabel "fosgeen "@nl .
csc:BWLUMTFWVZZZND-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7656 ;
dbo:casNumber "306991-23-1" , "103-49-1" ;
dbo:formula "C14H15N" ;
dbo:inchi "InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2" ;
dbo:iupacName "1-phenyl-N-(phenylmethyl)methanamine"@en ;
dbo:pubchem "7656"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CNCC2=CC=CC=C2" ;
dbp:inchikey "BWLUMTFWVZZZND-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DbenzAe" ;
skos:prefLabel "dibenzylamine"@nl .
csc:WAPNOHKVXSQRPX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7409 ;
dbo:casNumber "98-85-1" , "1517-69-7" , "13323-81-4" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" ;
dbo:iupacName "1-Phenylethanol"@en ;
dbo:pubchem "7409"^^xsd:int ;
dbo:smiles "CC(C1=CC=CC=C1)O" ;
dbp:inchikey "WAPNOHKVXSQRPX-UHFFFAOYSA-N" ;
skos:altLabel "(r)-1-fenylethanol"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "R1FyC2ol" ;
skos:prefLabel "(R)-1-fenylethanol"@nl .
csc:IYXMNTLBLQNMLM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12205 ;
dbo:casNumber "624-18-0" ;
dbo:formula "C6H10Cl2N2" ;
dbo:inchi "InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H" ;
dbo:iupacName "benzene-1,4-diamine dihydrochloride"@en ;
dbo:pubchem "12205"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)N.Cl.Cl" ;
dbp:inchikey "IYXMNTLBLQNMLM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DAoBenDHCl" ;
skos:prefLabel "1,4-diaminobenzeen dihydrochloride"@nl .
csc:GFZPUWKGPNHWHD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:109968 ;
dbo:casNumber "68298-12-4" ;
dbo:formula "C5H4F9NO2S" ;
dbo:inchi "InChI=1S/C5H4F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3" ;
dbo:iupacName "1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide"@en ;
dbo:pubchem "109968"^^xsd:int ;
dbo:smiles "CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "GFZPUWKGPNHWHD-UHFFFAOYSA-N" ;
skos:altLabel "n-methylperfluor-n-butaansulfonamide (mepfbsa)"@nl , "n-methylperfluor-n-butaansulfonamide"@nl ;
skos:broader csc:CHEMONTID_0001585 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MePFBSA" , "NC1yPFC4asfA" ;
skos:prefLabel "N-methylperfluorbutaansulfonamide"@nl .
csc:ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:323 ;
dbo:casNumber "91-64-5" ;
dbo:formula "C9H6O2" ;
dbo:inchi "InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H" ;
dbo:iupacName "chromen-2-one"@en ;
dbo:pubchem "323"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC(=O)O2" ;
dbp:inchikey "ZYGHJZDHTFUPRJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000145 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "coumrn" ;
skos:prefLabel "coumarin"@nl .
csc:QPQKUYVSJWQSDY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6051 ;
dbo:casNumber "60-09-3" , "81691-68-1" , "25548-34-9" ;
dbo:formula "C12H11N3" ;
dbo:inchi "InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2" ;
dbo:iupacName "4-phenyldiazenylaniline"@en ;
dbo:pubchem "6051"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N" ;
dbp:inchikey "QPQKUYVSJWQSDY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4AoazBen" ;
skos:prefLabel "4-aminoazobenzeen"@nl .
csc:ZZMVLMVFYMGSMY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13101 ;
dbo:casNumber "76600-84-5" , "793-24-8" , "50809-58-0" ;
dbo:formula "C18H24N2" ;
dbo:inchi "InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3" ;
dbo:iupacName "N-(4-methylpentan-2-yl)-N'-phenylbenzene-1,4-diamine"@en ;
dbo:pubchem "13101"^^xsd:int ;
dbo:smiles "CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2" ;
dbp:inchikey "ZZMVLMVFYMGSMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4DC1yC4yAoDF" ;
skos:prefLabel "4-(dimethylbutylamino)-difenylamine"@nl .
csc:JEDYYFXHPAIBGR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11826859 ;
dbo:casNumber "134605-64-4" ;
dbo:formula "C20H18ClF3N2O6" ;
dbo:inchi "InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3" ;
dbo:iupacName "(2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate"@en ;
dbo:pubchem "11826859"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)OCC=C)OC(=O)C1=C(C=CC(=C1)N2C(=O)C=C(N(C2=O)C)C(F)(F)F)Cl" ;
dbp:inchikey "JEDYYFXHPAIBGR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butfncl" ;
skos:prefLabel "butafenacil"@nl .
csc:RYYVLZVUVIJVGH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2519 ;
dbo:casNumber "95789-13-2" , "58-08-2" , "71701-02-5" ;
dbo:formula "C8H10N4O2" ;
dbo:inchi "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3" ;
dbo:iupacName "1,3,7-trimethylpurine-2,6-dione"@en ;
dbo:pubchem "2519"^^xsd:int ;
dbo:smiles "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" ;
dbp:inchikey "RYYVLZVUVIJVGH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:exactMatch wise:CAS_58-08-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "caffine" ;
skos:prefLabel "caffeine"@nl ;
vcs:vmmParameterId "867"^^xsd:int .
csc:OIAGWXKSCXPNNZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:65743 ;
dbo:casNumber "83-15-8" ;
dbo:formula "C13H15N3O2" ;
dbo:inchi "InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)" ;
dbo:iupacName "N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide"@en ;
dbo:pubchem "65743"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C" ;
dbp:inchikey "OIAGWXKSCXPNNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nact4Aoatprn" ;
skos:prefLabel "N-acetyl-4-aminoantipyrine"@nl .
csc:YUVKUEAFAVKILW-SECBINFHSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91733 ;
dbo:casNumber "83066-88-0" ;
dbo:formula "C15H12F3NO4" ;
dbo:inchi "InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1" ;
dbo:iupacName "(2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid"@en ;
dbo:pubchem "91733"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "YUVKUEAFAVKILW-SECBINFHSA-N" ;
skos:altLabel "fluazifop-p"@nl ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazfpP" ;
skos:prefLabel "fluazifop-P"@nl .
csc:ZIBCESDMUREVIU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:115122 ;
dbo:casNumber "8065-62-1" ;
dbo:formula "C10H26O6P2S4" ;
dbo:inchi "InChI=1S/2C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3;1-6-9(10,7-2)8-4-5-11-3/h2*4-5H2,1-3H3" ;
dbo:iupacName "dimethoxy-(2-methylsulfanylethoxy)-sulfanylidenephosphorane; 1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane"@en ;
dbo:pubchem "115122"^^xsd:int ;
dbo:smiles "COP(=O)(OC)SCCSC.COP(=S)(OC)OCCSC" ;
dbp:inchikey "ZIBCESDMUREVIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003384 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demfon" ;
skos:prefLabel "demefion"@nl .
csc:CZZZABOKJQXEBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7250 ;
dbo:casNumber "95-68-1" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2,4-Dimethylaniline"@en ;
dbo:pubchem "7250"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N)C" ;
dbp:inchikey "CZZZABOKJQXEBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24xyldne" ;
skos:prefLabel "2,4-xylidine"@nl .
csc:AXGUBXVWZBFQGA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22094 ;
dbo:casNumber "5836-10-2" ;
dbo:formula "C17H16Cl2O3" ;
dbo:inchi "InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3" ;
dbo:iupacName "propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate"@en ;
dbo:pubchem "22094"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "AXGUBXVWZBFQGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClC3yat" ;
skos:prefLabel "chloorpropylaat"@nl .
csc:HPYNBECUCCGGPA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92430 ;
dbo:casNumber "105024-66-6" ;
dbo:formula "C25H29FO2Si" ;
dbo:inchi "InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3" ;
dbo:iupacName "(4-ethoxyphenyl)-[3-[4-fluoro-3-(phenoxy)phenyl]propyl]-dimethylsilane"@en ;
dbo:pubchem "92430"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)[Si](C)(C)CCCC2=CC(=C(C=C2)F)OC3=CC=CC=C3" ;
dbp:inchikey "HPYNBECUCCGGPA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "silfofn" ;
skos:prefLabel "silafluofen"@nl .
csc:RHPUJHQBPORFGV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14855 ;
dbo:casNumber "1570-64-5" ;
dbo:formula "C7H7ClO" ;
dbo:inchi "InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3" ;
dbo:iupacName "4-Chloro-2-methylphenol"@en ;
dbo:pubchem "14855"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)O" ;
dbp:inchikey "RHPUJHQBPORFGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:exactMatch wise:CAS_1570-64-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2C1yFol" ;
skos:prefLabel "4-chloor-2-methylfenol"@nl ;
vcs:vmmParameterId "360"^^xsd:int .
csc:IMFACGCPASFAPR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7622 ;
dbo:casNumber "102-82-9" , "168153-19-3" ;
dbo:formula "C12H27N" ;
dbo:inchi "InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3" ;
dbo:iupacName "N,N-dibutylbutan-1-amine"@en ;
dbo:pubchem "7622"^^xsd:int ;
dbo:smiles "CCCCN(CCCC)CCCC" ;
dbp:inchikey "IMFACGCPASFAPR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4yAe" ;
skos:prefLabel "tributylamine"@nl .
csc:MXWAGQASUDSFBG-RVDMUPIBSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9954185 ;
dbo:casNumber "229977-93-9" ;
dbo:formula "C20H21F3N2O5" ;
dbo:inchi "InChI=1S/C20H21F3N2O5/c1-12(2)30-19-24-16(20(21,22)23)9-17(25-19)29-10-13-7-5-6-8-14(13)15(11-27-3)18(26)28-4/h5-9,11-12H,10H2,1-4H3/b15-11+" ;
dbo:iupacName "methyl (E)-3-methoxy-2-[2-[[2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate"@en ;
dbo:pubchem "9954185"^^xsd:int ;
dbo:smiles "CC(C)OC1=NC(=CC(=N1)OCC2=CC=CC=C2C(=COC)C(=O)OC)C(F)(F)F" ;
dbp:inchikey "MXWAGQASUDSFBG-RVDMUPIBSA-N" ;
skos:broader csc:CHEMONTID_0004203 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluacprm" ;
skos:prefLabel "fluacrypyrim"@nl .
csc:ZKHOYAKAFALNQD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41518 ;
dbo:casNumber "55682-92-3" ;
dbo:formula "C29H58O2" ;
dbo:inchi "InChI=1S/C29H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31-2/h3-28H2,1-2H3" ;
dbo:iupacName "METHYL OCTACOSANOATE"@en ;
dbo:pubchem "41518"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC" ;
dbp:inchikey "ZKHOYAKAFALNQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC28aoat" ;
skos:prefLabel "methyloctacosanoaat"@nl .
csc:QBYJBZPUGVGKQQ-SEIHLVFNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:222548 ;
dbo:casNumber "465-73-6" ;
dbo:formula "C12H8Cl6" ;
dbo:inchi "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10-,11+" ;
dbo:iupacName "(1S,2R,3R,6S,7S,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene"@en ;
dbo:pubchem "222548"^^xsd:int ;
dbo:smiles "C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "QBYJBZPUGVGKQQ-SEIHLVFNSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_465-73-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "idn" ;
skos:prefLabel "isodrin"@nl ;
vcs:vmmParameterId "251"^^xsd:int .
csc:ZPQOPVIELGIULI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10943 ;
dbo:casNumber "63697-17-6" , "541-73-1" ;
dbo:formula "C6H4Cl2" ;
dbo:inchi "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H" ;
dbo:iupacName "1,3-Dichlorobenzene"@en ;
dbo:pubchem "10943"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)Cl" ;
dbp:inchikey "ZPQOPVIELGIULI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_541-73-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DClBen" ;
skos:prefLabel "1,3-dichloorbenzeen"@nl ;
vcs:vmmParameterId "324"^^xsd:int .
csc:WYMSBXTXOHUIGT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9395 ;
dbo:casNumber "311-45-5" ;
dbo:formula "C10H14NO6P" ;
dbo:inchi "InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "diethyl (4-nitrophenyl) phosphate"@en ;
dbo:pubchem "9395"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "WYMSBXTXOHUIGT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "paroonC2y" ;
skos:prefLabel "paraoxon-ethyl"@nl .
csc:OKIZCWYLBDKLSU-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6379 ;
dbo:casNumber "75-57-0" , "79098-37-6" , "51-92-3" ;
dbo:formula "C4H12ClN" ;
dbo:inchi "InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetramethylazanium chloride"@en ;
dbo:pubchem "6379"^^xsd:int ;
dbo:smiles "C[N+](C)(C)C.[Cl-]" ;
dbp:inchikey "OKIZCWYLBDKLSU-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1yNH4Cl" ;
skos:prefLabel "tetramethylammoniumchloride"@nl .
csc:NGBBVGZWCFBOGO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1614 ;
dbo:casNumber "4764-17-4" ;
dbo:formula "C10H13NO2" ;
dbo:inchi "InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3" ;
dbo:iupacName "1-(1,3-benzodioxol-5-yl)propan-2-amine"@en ;
dbo:pubchem "1614"^^xsd:int ;
dbo:smiles "CC(CC1=CC2=C(C=C1)OCO2)N" ;
dbp:inchikey "NGBBVGZWCFBOGO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34C1yeDoxafA" ;
skos:prefLabel "3,4-methyleendioxyamfetamine"@nl .
csc:NHTMVDHEPJAVLT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10907 ;
dbo:casNumber "31921-36-5" , "540-84-1" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" ;
dbo:iupacName "2,2,4-Trimethylpentane"@en ;
dbo:pubchem "10907"^^xsd:int ;
dbo:smiles "CC(C)CC(C)(C)C" ;
dbp:inchikey "NHTMVDHEPJAVLT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "224TC1yC5a" ;
skos:prefLabel "2,2,4-trimethylpentaan"@nl .
csc:RZPAKFUAFGMUPI-QESOVKLGSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:72493 ;
dbo:casNumber "3922-90-5" ;
dbo:formula "C35H61NO12" ;
dbo:inchi "InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1" ;
dbo:iupacName "(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione"@en ;
dbo:pubchem "72493"^^xsd:int ;
dbo:smiles "CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C" ;
dbp:inchikey "RZPAKFUAFGMUPI-QESOVKLGSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oladmcn" ;
skos:prefLabel "oleandomycin"@nl .
csc:SYQBFIAQOQZEGI-FTXFMUIASA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167423 ;
dbo:casNumber "15766-50-4" ;
dbo:formula "Os" ;
dbo:inchi "InChI=1S/Os/i1-5" ;
dbo:iupacName "osmium-185"@en ;
dbo:pubchem "167423"^^xsd:int ;
dbo:smiles "[Os]" ;
dbp:inchikey "SYQBFIAQOQZEGI-FTXFMUIASA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Os185" ;
skos:prefLabel "osmium 185"@nl .
csc:CSWBSLXBXRFNST-MQQKCMAXSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1787910 ;
dbo:casNumber "76600-88-9" , "33956-49-9" ;
dbo:formula "C12H22O" ;
dbo:inchi "InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+" ;
dbo:iupacName "['(8E,10E)-dodeca-8,10-dien-1-ol', 'dodeca-8,10-dien-1-ol']"@en ;
dbo:pubchem "1787910"^^xsd:int ;
dbo:smiles "CC=CC=CCCCCCCCO" ;
dbp:inchikey "CSWBSLXBXRFNST-MQQKCMAXSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "codlmn" ;
skos:prefLabel "codlemon"@nl .
csc:NPPQSCRMBWNHMW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4064 ;
dbo:casNumber "57-53-4" ;
dbo:formula "C9H18N2O4" ;
dbo:inchi "InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)" ;
dbo:iupacName "[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate"@en ;
dbo:pubchem "4064"^^xsd:int ;
dbo:smiles "CCCC(C)(COC(=O)N)COC(=O)N" ;
dbp:inchikey "NPPQSCRMBWNHMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001162 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mepbmt" ;
skos:prefLabel "meprobamaat"@nl .
csc:CXBMCYHAMVGWJQ-CABCVRRESA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24365 ;
dbo:casNumber "52556-74-8" , "7696-12-0" , "5284-41-3" , "28643-67-6" , "1166-46-7" ;
dbo:formula "C19H25NO4" ;
dbo:inchi "InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14-,15+/m1/s1" ;
dbo:iupacName "(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "24365"^^xsd:int ;
dbo:smiles "CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C" ;
dbp:inchikey "CXBMCYHAMVGWJQ-CABCVRRESA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4mtn" ;
skos:prefLabel "tetramethrin"@nl .
csc:ZSIAUFGUXNUGDI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8103 ;
dbo:casNumber "220713-27-9" , "111-27-3" , "25917-35-5" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" ;
dbo:iupacName "HEXAN-1-OL"@en ;
dbo:pubchem "8103"^^xsd:int ;
dbo:smiles "CCCCCCO" ;
dbp:inchikey "ZSIAUFGUXNUGDI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C6Ol" ;
skos:prefLabel "1-hexanol"@nl .
csc:CEBKHWWANWSNTI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8258 ;
dbo:casNumber "115-19-5" , "140705-79-9" , "67539-62-2" ;
dbo:formula "C5H8O" ;
dbo:inchi "InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3" ;
dbo:iupacName "2-Methylbut-3-yn-2-ol"@en ;
dbo:pubchem "8258"^^xsd:int ;
dbo:smiles "CC(C)(C#C)O" ;
dbp:inchikey "CEBKHWWANWSNTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001373 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y3C4yn2ol" ;
skos:prefLabel "2-methyl-3-butyn-2-ol"@nl .
csc:NYPJDWWKZLNGGM-BJKOFHAPSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5361514 ;
dbo:casNumber "67890-40-8" , "66230-04-4" , "72650-28-3" ;
dbo:formula "C25H22ClNO3" ;
dbo:inchi "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m0/s1" ;
dbo:iupacName "[(R)-cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate"@en ;
dbo:pubchem "5361514"^^xsd:int ;
dbo:smiles "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "NYPJDWWKZLNGGM-BJKOFHAPSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "esfvlrt" ;
skos:prefLabel "esfenvaleraat"@nl .
csc:BIWJNBZANLAXMG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5993 ;
dbo:casNumber "53637-13-1" , "28181-89-7" , "52917-96-1" , "5103-71-9" , "57-74-9" , "39400-80-1" , "22212-52-8" , "17436-70-3" , "28140-46-7" , "67672-92-8" , "12789-03-6" , "33442-85-2" , "5103-74-2" , "52002-35-4" , "26703-86-6" ;
dbo:formula "C10H6Cl8" ;
dbo:inchi "InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2" ;
dbo:iupacName "1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene"@en ;
dbo:pubchem "5993"^^xsd:int ;
dbo:smiles "C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "BIWJNBZANLAXMG-UHFFFAOYSA-N" ;
skos:altLabel "cis-chloordaan trans-chloordaan"@nl , "trans-chloordaan"@nl , "cis-chloordaan"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_5103-71-9 , wise:CAS_5103-74-2 , wise:CAS_57-74-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cCldn" , "tCldn" , "Cldn" ;
skos:prefLabel "chloordaan"@nl ;
vcs:vmmParameterId "533"^^xsd:int , "532"^^xsd:int , "233"^^xsd:int .
csc:BLFLLBZGZJTVJG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2337 ;
dbo:casNumber "71123-91-6" , "94-09-7" ;
dbo:formula "C9H11NO2" ;
dbo:inchi "InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3" ;
dbo:iupacName "Ethyl 4-aminobenzoate"@en ;
dbo:pubchem "2337"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CC=C(C=C1)N" ;
dbp:inchikey "BLFLLBZGZJTVJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzcine" ;
skos:prefLabel "benzocaine"@nl .
csc:QHMGJGNTMQDRQA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11008 ;
dbo:casNumber "544-85-4" ;
dbo:formula "C32H66" ;
dbo:inchi "InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3" ;
dbo:iupacName "DOTRIACONTANE"@en ;
dbo:pubchem "11008"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "QHMGJGNTMQDRQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C32a" ;
skos:prefLabel "dotriacontaan"@nl .
csc:DDBREPKUVSBGFI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4763 ;
dbo:casNumber "50-06-6" , "46755-67-3" , "11097-06-6" ;
dbo:formula "C12H12N2O3" ;
dbo:inchi "InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)" ;
dbo:iupacName "5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "4763"^^xsd:int ;
dbo:smiles "CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2" ;
dbp:inchikey "DDBREPKUVSBGFI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbbtl" ;
skos:prefLabel "fenobarbital"@nl .
csc:LQDARGUHUSPFNL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:80277 ;
dbo:casNumber "112281-77-3" ;
dbo:formula "C13H11Cl2F4N3O" ;
dbo:inchi "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole"@en ;
dbo:pubchem "80277"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" ;
dbp:inchikey "LQDARGUHUSPFNL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4cnzl" ;
skos:prefLabel "tetraconazool"@nl .
csc:YNAVUWVOSKDBBP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8083 ;
dbo:casNumber "147366-31-2" , "99108-56-2" , "61791-40-0" , "110-91-8" , "88542-81-8" , "96122-95-1" ;
dbo:formula "C4H9NO" ;
dbo:inchi "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" ;
dbo:iupacName "Morpholine"@en ;
dbo:pubchem "8083"^^xsd:int ;
dbo:smiles "C1COCCN1" ;
dbp:inchikey "YNAVUWVOSKDBBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000392 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "morflne" ;
skos:prefLabel "morfoline"@nl .
csc:BXNANOICGRISHX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2871 ;
dbo:casNumber "56-72-4" ;
dbo:formula "C14H16ClO5PS" ;
dbo:inchi "InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3" ;
dbo:iupacName "3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one"@en ;
dbo:pubchem "2871"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C" ;
dbp:inchikey "BXNANOICGRISHX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000145 ;
skos:exactMatch wise:CAS_56-72-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cumfs" ;
skos:prefLabel "cumafos"@nl ;
vcs:vmmParameterId "486"^^xsd:int .
csc:VIDRYROWYFWGSY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:66245 ;
dbo:casNumber "959-24-0" ;
dbo:formula "C12H21ClN2O3S" ;
dbo:inchi "InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H" ;
dbo:iupacName "N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride"@en ;
dbo:pubchem "66245"^^xsd:int ;
dbo:smiles "CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl" ;
dbp:inchikey "VIDRYROWYFWGSY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sotalol, waterstofchloride"@nl .
csc:ZMQAAUBTXCXRIC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5144 ;
dbo:casNumber "94-59-7" , "1406-55-9" , "8022-92-2" ;
dbo:formula "C10H10O2" ;
dbo:inchi "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2" ;
dbo:iupacName "5-prop-2-enyl-1,3-benzodioxole"@en ;
dbo:pubchem "5144"^^xsd:int ;
dbo:smiles "C=CCC1=CC2=C(C=C1)OCO2" ;
dbp:inchikey "ZMQAAUBTXCXRIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "safl" ;
skos:prefLabel "safrol"@nl .
csc:LVYBAQIVPKCOEE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:51130 ;
dbo:casNumber "70648-26-9" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H" ;
dbo:iupacName "1,2,3,4,7,8-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "51130"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "LVYBAQIVPKCOEE-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel " 1,2,3,4,7,8-hexachloordibenzofuraan"@nl , "1,2,3,4,7,8-hexachloordibenzofuran"@nl , "1,2,3,4,7,8-hexachloordibenzofuraan (hxcdf)"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_70648-26-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF118" ;
skos:prefLabel "1,2,3,4,7,8-hexachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1240"^^xsd:int .
csc:PSQYTAPXSHCGMF-BQYQJAHWSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:638014 ;
dbo:casNumber "14901-07-6" , "79-77-6" , "35031-06-2" ;
dbo:formula "C13H20O" ;
dbo:inchi "InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+" ;
dbo:iupacName "['4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one', '(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one']"@en ;
dbo:pubchem "638014"^^xsd:int ;
dbo:smiles "CC1=C(C(CCC1)(C)C)C=CC(=O)C" ;
dbp:inchikey "PSQYTAPXSHCGMF-BQYQJAHWSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4266TC1y1ccC" ;
skos:prefLabel "4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-on"@nl .
csc:WMOVHXAZOJBABW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10908 ;
dbo:casNumber "540-88-5" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" ;
dbo:iupacName "tert-Butyl acetate"@en ;
dbo:pubchem "10908"^^xsd:int ;
dbo:smiles "CC(=O)OC(C)(C)C" ;
dbp:inchikey "WMOVHXAZOJBABW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_004 , co:LUC_IV_012 ;
skos:altLabel "tertiair-butylacetaat"@nl ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ttC4yactt" ;
skos:prefLabel "t-butylacetaat"@nl .
csc:SXHLTVKPNQVZGL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38034 ;
dbo:casNumber "38444-84-7" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15/h1-7H" ;
dbo:iupacName "1,2-dichloro-3-(3-chlorophenyl)benzene"@en ;
dbo:pubchem "38034"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=C(C(=CC=C2)Cl)Cl" ;
dbp:inchikey "SXHLTVKPNQVZGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB20" ;
skos:prefLabel "2,3,3'-trichloorbifenyl"@nl .
csc:JLYXXMFPNIAWKQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:727 ;
dbo:casNumber "8007-42-9" , "39284-22-5" , "25897-48-7" , "319-86-8" , "58-89-9" , "55963-79-6" , "20437-97-2" , "8073-23-2" , "6108-10-7" , "60291-32-9" , "6108-13-0" , "319-85-7" , "6108-12-9" , "319-84-6" , "89609-19-8" , "53529-37-6" , "608-73-1" , "6108-11-8" ;
dbo:formula "C6H6Cl6" ;
dbo:inchi "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H" ;
dbo:iupacName "1,2,3,4,5,6-Hexachlorocyclohexane"@en ;
dbo:pubchem "727"^^xsd:int ;
dbo:smiles "C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "JLYXXMFPNIAWKQ-UHFFFAOYSA-N" ;
skos:altLabel "eta-hexachloorcyclohexaan"@nl , "alfa-hexachloorcyclohexaan"@nl , "delta-hexachloorcyclohexaan"@nl , "hexachloorcyclohexaan, alle isomeren"@nl , "epsilon-hexachloorcyclohexaan"@nl , "som hexachloorcyclohexaan-isomeren"@nl , "beta-hexachloorcyclohexaan (beta-hch)"@nl , "delta-hexachloorcyclohexaan (delta-hch)"@nl , "gamma-hexachloorcyclohexaan (lindaan)"@nl , "gamma-hexachloorcyclohexaan (gamma-hch, lindaan)"@nl , "y-hexachloorcyclo-hexaan (y-hch)"@nl , "gamma-hexachloorcyclohexaan"@nl , "alfa-hexachloorcyclohexaan (alfa-hch)"@nl , "?-hexachloorcyclo-hexaan (?-hch)"@nl ;
skos:broader csc:CHEMONTID_0004485 ;
skos:exactMatch wise:CAS_319-84-6 , wise:CAS_58-89-9 , wise:CAS_319-85-7 , wise:CAS_608-73-1 , wise:CAS_6108-10-7 , wise:CAS_319-86-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sHCH" , "dHCH" , "hHCH" , "cHCH" , "eHCH" , "bHCH" , "aHCH" ;
skos:prefLabel "beta-hexachloorcyclohexaan"@nl ;
vcs:vmmParameterId "247"^^xsd:int , "1205"^^xsd:int , "250"^^xsd:int , "248"^^xsd:int , "246"^^xsd:int , "249"^^xsd:int .
csc:MZHCENGPTKEIGP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8427 ;
dbo:casNumber "120-36-5" , "7547-66-2" ;
dbo:formula "C9H8Cl2O3" ;
dbo:inchi "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)" ;
dbo:iupacName "2-(2,4-Dichlorophenoxy)propanoic acid"@en ;
dbo:pubchem "8427"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "MZHCENGPTKEIGP-UHFFFAOYSA-N" ;
skos:altLabel "dichlorprop"@nl , "2,4-dichloorfenoxypropionzuur"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:exactMatch wise:CAS_120-36-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DP" ;
skos:prefLabel "dichloorprop"@nl ;
vcs:vmmParameterId "234"^^xsd:int .
csc:OSDLLIBGSJNGJE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2723 ;
dbo:casNumber "88-04-0" ;
dbo:formula "C8H9ClO" ;
dbo:inchi "InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3" ;
dbo:iupacName "4-Chloro-3,5-dimethylphenol"@en ;
dbo:pubchem "2723"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1Cl)C)O" ;
dbp:inchikey "OSDLLIBGSJNGJE-UHFFFAOYSA-N" ;
skos:altLabel "4-chloor-3,5-dimethylfenol"@nl ;
skos:broader csc:CHEMONTID_0001273 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clxlnl" ;
skos:prefLabel "chloorxylenol"@nl .
csc:TZBJGXHYKVUXJN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280961 ;
dbo:casNumber "446-72-0" ;
dbo:formula "C15H10O5" ;
dbo:inchi "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H" ;
dbo:iupacName "5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one"@en ;
dbo:pubchem "5280961"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O" ;
dbp:inchikey "TZBJGXHYKVUXJN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gensn" ;
skos:prefLabel "genistein"@nl .
csc:CRBJBYGJVIBWIY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6943 ;
dbo:casNumber "88-69-7" , "25168-06-3" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3" ;
dbo:iupacName "2-propan-2-ylphenol"@en ;
dbo:pubchem "6943"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=CC=C1O" ;
dbp:inchikey "CRBJBYGJVIBWIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2iC3yFol" ;
skos:prefLabel "2-isopropylfenol"@nl .
csc:FIKAKWIAUPDISJ-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:15938 ;
dbo:casNumber "136338-65-3" , "57593-74-5" , "65982-50-5" , "1910-42-5" , "247050-57-3" , "3765-78-4" , "205105-68-6" ;
dbo:formula "C12H14Cl2N2" ;
dbo:inchi "InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2" ;
dbo:iupacName "1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride"@en ;
dbo:pubchem "15938"^^xsd:int ;
dbo:smiles "C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-]" ;
dbp:inchikey "FIKAKWIAUPDISJ-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000326 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pqtDCl" ;
skos:prefLabel "paraquat-dichloride"@nl .
csc:ZPIFKCVYZBVZIV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10000 ;
dbo:casNumber "673-93-8" , "460-35-5" ;
dbo:formula "C3H4ClF3" ;
dbo:inchi "InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2" ;
dbo:iupacName "['3-Chloro-1,1,1-trifluoropropane', '1-chloro-3,3,3-trifluoroprop-1-yne']"@en ;
dbo:pubchem "10000"^^xsd:int ;
dbo:smiles "C(CCl)C(F)(F)F" ;
dbp:inchikey "ZPIFKCVYZBVZIV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK253fb" ;
skos:prefLabel "3-chloor-1,1,1-trifluorpropaan"@nl .
csc:GUVRBAGPIYLISA-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:161013 ;
dbo:casNumber "13982-00-8" ;
dbo:formula "Ta" ;
dbo:inchi "InChI=1S/Ta/i1+1" ;
dbo:iupacName "tantalum-182"@en ;
dbo:pubchem "161013"^^xsd:int ;
dbo:smiles "[Ta]" ;
dbp:inchikey "GUVRBAGPIYLISA-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ta182" ;
skos:prefLabel "tantalum 182"@nl .
csc:CLMQUEQFVUMDPC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21484 ;
dbo:casNumber "5388-62-5" ;
dbo:formula "C6H4ClN3O4" ;
dbo:inchi "InChI=1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2" ;
dbo:iupacName "4-Chloro-2,6-dinitroaniline"@en ;
dbo:pubchem "21484"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Cl" ;
dbp:inchikey "CLMQUEQFVUMDPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl26DNO2An" ;
skos:prefLabel "4-chloor-2,6-dinitroaniline"@nl .
csc:SNRUBQQJIBEYMU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8182 ;
dbo:casNumber "93924-07-3" , "112-40-3" , "129813-67-8" ;
dbo:formula "C12H26" ;
dbo:inchi "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" ;
dbo:iupacName "Dodecane"@en ;
dbo:pubchem "8182"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC" ;
dbp:inchikey "SNRUBQQJIBEYMU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12a" ;
skos:prefLabel "dodecaan"@nl .
csc:ZKXDGKXYMTYWTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6046 ;
dbo:casNumber "67587-56-8" , "59-89-2" ;
dbo:formula "C4H8N2O2" ;
dbo:inchi "InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2" ;
dbo:iupacName "4-Nitrosomorpholine"@en ;
dbo:pubchem "6046"^^xsd:int ;
dbo:smiles "C1COCCN1N=O" ;
dbp:inchikey "ZKXDGKXYMTYWTB-UHFFFAOYSA-N" ;
skos:altLabel "N-nitrosomorfoline"@nl ;
skos:broader csc:CHEMONTID_0000392 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNO2smflne" ;
skos:prefLabel "n-nitrosomorfoline"@nl .
csc:RTNLUFLDZOAXIC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16692 ;
dbo:casNumber "2234-13-1" ;
dbo:formula "C10Cl8" ;
dbo:inchi "InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12" ;
dbo:iupacName "1,2,3,4,5,6,7,8-Octachloronaphthalene"@en ;
dbo:pubchem "16692"^^xsd:int ;
dbo:smiles "C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "RTNLUFLDZOAXIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004794 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OcClNaf" ;
skos:prefLabel "octachloornaftaleen"@nl .
csc:IAKOZHOLGAGEJT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4115 ;
dbo:casNumber "72-43-5" ;
dbo:formula "C16H15Cl3O2" ;
dbo:inchi "InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3" ;
dbo:iupacName "1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene"@en ;
dbo:pubchem "4115"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl" ;
dbp:inchikey "IAKOZHOLGAGEJT-UHFFFAOYSA-N" ;
skos:altLabel "p,p\uFFFD-methoxychlor"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_72-43-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxCl" ;
skos:prefLabel "methoxychloor"@nl ;
vcs:vmmParameterId "254"^^xsd:int .
csc:JUZNIMUFDBIJCM-ANEDZVCMSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:150610 ;
dbo:casNumber "153832-46-3" ;
dbo:formula "C22H25N3O7S" ;
dbo:inchi "InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1" ;
dbo:iupacName "(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "150610"^^xsd:int ;
dbo:smiles "CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O" ;
dbp:inchikey "JUZNIMUFDBIJCM-ANEDZVCMSA-N" ;
skos:broader csc:CHEMONTID_0002362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ertpnm" ;
skos:prefLabel "ertapenem"@nl .
csc:DNRJTBAOUJJKDY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:89440 ;
dbo:casNumber "131433-13-1" , "21145-77-7" , "1506-02-1" ;
dbo:formula "C18H26O" ;
dbo:inchi "InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3" ;
dbo:iupacName "1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone"@en ;
dbo:pubchem "89440"^^xsd:int ;
dbo:smiles "CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C" ;
dbp:inchikey "DNRJTBAOUJJKDY-UHFFFAOYSA-N" ;
skos:altLabel "tonalide"@nl ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AHTN" , "ATHN" ;
skos:prefLabel "acetylhexamethyltetrahydronaftaleen"@nl .
csc:VEXZGXHMUGYJMC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'HCl'"@nl , "VLAR II bijl. 2.5.1 'chloorwaterstof'"@nl , "VLAR III (D3) 'waterstofchloride (HCl)'"@nl , "VLAR II (D5, diverse art) 'HCl'"@nl ;
rdfs:seeAlso compound:313 ;
dbo:casNumber "7647-01-0" , "113962-65-5" , "51005-19-7" , "61674-62-2" , "218625-68-4" ;
dbo:formula "ClH" ;
dbo:inchi "InChI=1S/ClH/h1H" ;
dbo:iupacName "['hydrogen chloride', 'hydron chloride']"@en ;
dbo:pubchem "313"^^xsd:int ;
dbo:smiles "Cl" ;
dbp:inchikey "VEXZGXHMUGYJMC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_001 ;
skos:altLabel "zoutzuur"@nl ;
skos:broader csc:CHEMONTID_0000548 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCl" ;
skos:prefLabel "waterstofchloride"@nl .
csc:GRLPQNLYRHEGIJ-UHFFFAOYSA-J
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24856 ;
dbo:casNumber "10043-01-3" , "131315-49-6" , "10043-67-1" ;
dbo:formula "AlKO8S2" ;
dbo:inchi "InChI=1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4" ;
dbo:iupacName "Aluminum potassium disulfate"@en ;
dbo:pubchem "24856"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+]" ;
dbp:inchikey "GRLPQNLYRHEGIJ-UHFFFAOYSA-J" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AlSO4" ;
skos:prefLabel "aluminiumsulfaat"@nl .
csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:18636 ;
dbo:casNumber "3268-87-9" ;
dbo:formula "C12Cl8O2" ;
dbo:inchi "InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10" ;
dbo:iupacName "1,2,3,4,6,7,8,9-octachlorooxanthrene"@en ;
dbo:pubchem "18636"^^xsd:int ;
dbo:smiles "C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "FOIBFBMSLDGNHL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "octachloordibenzo-para-dioxine"@nl , "octachloordibenzodioxine"@nl , "octachloordibenzodioxine (ocdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_3268-87-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD75" ;
skos:prefLabel "1,2,3,4,6,7,8,9-octachloordibenzo-p-dioxine"@nl ;
vcs:vmmParameterId "1252"^^xsd:int .
csc:UJOBWOGCFQCDNV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6854 ;
dbo:casNumber "86-74-8" ;
dbo:formula "C12H9N" ;
dbo:inchi "InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H" ;
dbo:iupacName "9H-Carbazole"@en ;
dbo:pubchem "6854"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC=C3N2" ;
dbp:inchikey "UJOBWOGCFQCDNV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbzl" ;
skos:prefLabel "carbazol"@nl .
csc:YEHGKFOTJWYCBN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:229159 ;
dbo:casNumber "6316-30-9" ;
dbo:formula "C18H28O2" ;
dbo:inchi "InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3" ;
dbo:iupacName "Undecyl benzoate"@en ;
dbo:pubchem "229159"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCOC(=O)C1=CC=CC=C1" ;
dbp:inchikey "YEHGKFOTJWYCBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C11ybzat" ;
skos:prefLabel "undecylbenzoaat"@nl .
csc:IGUYEXXAGBDLLX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:51574 ;
dbo:casNumber "84332-86-5" , "72391-46-9" ;
dbo:formula "C13H11Cl2NO5" ;
dbo:inchi "InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3" ;
dbo:iupacName "ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate"@en ;
dbo:pubchem "51574"^^xsd:int ;
dbo:smiles "CCOC(=O)C1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C" ;
dbp:inchikey "IGUYEXXAGBDLLX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chlozlnt" ;
skos:prefLabel "chlozolinaat"@nl .
csc:HJJVPARKXDDIQD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3444 ;
dbo:casNumber "116255-48-2" ;
dbo:formula "C13H12BrCl2N3O" ;
dbo:inchi "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" ;
dbo:iupacName "1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "3444"^^xsd:int ;
dbo:smiles "C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br" ;
dbp:inchikey "HJJVPARKXDDIQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bromcnzl" ;
skos:prefLabel "bromuconazool"@nl .
csc:GTKRZJVAXAQBMB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:93139 ;
dbo:casNumber "30614-22-3" ;
dbo:formula "C10H16N4O2" ;
dbo:inchi "InChI=1S/C10H16N4O2/c1-6-7(2)12-9(11-3)13-8(6)16-10(15)14(4)5/h1-5H3,(H,11,12,13)" ;
dbo:iupacName "(5,6-dimethyl-2-methylaminopyrimidin-4-yl) N,N-dimethylcarbamate"@en ;
dbo:pubchem "93139"^^xsd:int ;
dbo:smiles "CC1=C(N=C(N=C1OC(=O)N(C)C)NC)C" ;
dbp:inchikey "GTKRZJVAXAQBMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001262 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pirmcdC1y" ;
skos:prefLabel "pirimicarb-desmethyl"@nl .
csc:NIFKBBMCXCMCAO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11409499 ;
dbo:casNumber "208465-21-8" ;
dbo:formula "C17H21N5O9S2" ;
dbo:inchi "InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)" ;
dbo:iupacName "methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate"@en ;
dbo:pubchem "11409499"^^xsd:int ;
dbo:smiles "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNS(=O)(=O)C)C(=O)OC)OC" ;
dbp:inchikey "NIFKBBMCXCMCAO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "messfrnC1y" ;
skos:prefLabel "mesosulfuron-methyl"@nl .
csc:JWEOEZZCZCCPJL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:241520 ;
dbo:casNumber "700-46-9" ;
dbo:formula "C9H8N2" ;
dbo:inchi "InChI=1S/C9H8N2/c1-7-8-4-2-3-5-9(8)11-6-10-7/h2-6H,1H3" ;
dbo:iupacName "4-Methylquinazoline"@en ;
dbo:pubchem "241520"^^xsd:int ;
dbo:smiles "CC1=NC=NC2=CC=CC=C12" ;
dbp:inchikey "JWEOEZZCZCCPJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000485 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yqnzlne" ;
skos:prefLabel "4-methylquinazoline"@nl .
csc:QBSJMKIUCUGGNG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17517 ;
dbo:casNumber "2631-40-5" ;
dbo:formula "C11H15NO2" ;
dbo:inchi "InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)" ;
dbo:iupacName "(2-propan-2-ylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17517"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "QBSJMKIUCUGGNG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ipcb" ;
skos:prefLabel "isoprocarb"@nl .
csc:HCAJEUSONLESMK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7533 ;
dbo:casNumber "45951-45-9" , "100-88-9" ;
dbo:formula "C6H13NO3S" ;
dbo:inchi "InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)" ;
dbo:iupacName "Cyclohexylsulfamic acid"@en ;
dbo:pubchem "7533"^^xsd:int ;
dbo:smiles "C1CCC(CC1)NS(=O)(=O)O" ;
dbp:inchikey "HCAJEUSONLESMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000365 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycmt" ;
skos:prefLabel "cyclamaat"@nl .
csc:LXCLPHJRGDTDDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3013925 ;
dbo:casNumber "654-36-4" ;
dbo:formula "C6H3Cl4N" ;
dbo:inchi "InChI=1S/C6H3Cl4N/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2" ;
dbo:iupacName "2,3,4,6-Tetrachloroaniline"@en ;
dbo:pubchem "3013925"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)N)Cl" ;
dbp:inchikey "LXCLPHJRGDTDDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2346T4ClAn" ;
skos:prefLabel "2,3,4,6-tetrachlooraniline"@nl .
csc:PWHULOQIROXLJO-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104743 ;
dbo:casNumber "13966-31-9" ;
dbo:formula "Mn" ;
dbo:inchi "InChI=1S/Mn/i1-1" ;
dbo:iupacName "manganese-54"@en ;
dbo:pubchem "104743"^^xsd:int ;
dbo:smiles "[Mn]" ;
dbp:inchikey "PWHULOQIROXLJO-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mn54" ;
skos:prefLabel "mangaan 54"@nl .
csc:ZSLUVFAKFWKJRC-FTXFMUIASA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61806 ;
dbo:casNumber "15623-47-9" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-5" ;
dbo:iupacName "thorium-227"@en ;
dbo:pubchem "61806"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "ZSLUVFAKFWKJRC-FTXFMUIASA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th227" ;
skos:prefLabel "thorium 227"@nl .
csc:WNVCMFHPRIBNCW-HTQZYQBOSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:41285 ;
dbo:casNumber "55013-32-6" ;
dbo:formula "C9H16O2" ;
dbo:inchi "InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1" ;
dbo:iupacName "(4R,5R)-5-butyl-4-methyloxolan-2-one"@en ;
dbo:pubchem "41285"^^xsd:int ;
dbo:smiles "CCCCC1C(CC(=O)O1)C" ;
dbp:inchikey "WNVCMFHPRIBNCW-HTQZYQBOSA-N" ;
skos:altLabel "cis-5-butyldihydro-4-methyl-2(3h)furanon"@nl ;
skos:broader csc:CHEMONTID_0001245 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c5C4yH4C1y23" ;
skos:prefLabel "cis-5-butyldihydro-4-methyl-2(3H)furanon"@nl .
csc:FCXPVFLEDIQLLO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20636 ;
dbo:casNumber "4534-53-6" ;
dbo:formula "C19H32" ;
dbo:inchi "InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3" ;
dbo:iupacName "tridecan-2-ylbenzene"@en ;
dbo:pubchem "20636"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC(C)C1=CC=CC=C1" ;
dbp:inchikey "FCXPVFLEDIQLLO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1yC12yBen" ;
skos:prefLabel "1-methyldodecylbenzeen"@nl .
csc:PKJSRUTWBDIWAR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62817 ;
dbo:casNumber "26896-20-8" ;
dbo:formula "C10H20O2" ;
dbo:inchi "InChI=1S/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)" ;
dbo:iupacName "2-ethyl-2,5-dimethylhexanoic acid"@en ;
dbo:pubchem "62817"^^xsd:int ;
dbo:smiles "CCC(C)(CCC(C)C)C(=O)O" ;
dbp:inchikey "PKJSRUTWBDIWAR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "neoC10azr" ;
skos:prefLabel "neodecaanzuur"@nl .
csc:NOWKCMXCCJGMRR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:9033 ;
dbo:casNumber "9077-52-5" , "99932-76-0" , "66456-64-2" , "96956-22-8" , "96956-23-9" , "145379-92-6" , "151-56-4" , "39289-19-5" , "81210-09-5" , "81210-07-3" , "69522-69-6" , "92047-44-4" , "68130-98-3" , "9002-98-6" , "68130-99-4" , "81210-08-4" , "96956-24-0" ;
dbo:formula "C2H5N" ;
dbo:inchi "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2" ;
dbo:iupacName "Aziridine"@en ;
dbo:pubchem "9033"^^xsd:int ;
dbo:smiles "C1CN1" ;
dbp:inchikey "NOWKCMXCCJGMRR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000103 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yeimne" ;
skos:prefLabel "ethyleenimine"@nl .
csc:CJJOSEISRRTUQB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2268 ;
dbo:casNumber "54182-73-9" , "86-50-0" ;
dbo:formula "C10H12N3O3PS2" ;
dbo:inchi "InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3" ;
dbo:iupacName "3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one"@en ;
dbo:pubchem "2268"^^xsd:int ;
dbo:smiles "COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1" ;
dbp:inchikey "CJJOSEISRRTUQB-UHFFFAOYSA-N" ;
skos:altLabel "methylazinfos"@nl ;
skos:broader csc:CHEMONTID_0004660 ;
skos:exactMatch wise:CAS_86-50-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yazfs" ;
skos:prefLabel "azinfos-methyl"@nl ;
vcs:vmmParameterId "394"^^xsd:int , "1080"^^xsd:int .
csc:GLUUGHFHXGJENI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4837 ;
dbo:casNumber "8057-14-5" , "81546-15-8" , "8027-81-4" , "110-85-0" , "8017-90-1" ;
dbo:formula "C4H10N2" ;
dbo:inchi "InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2" ;
dbo:iupacName "Piperazine"@en ;
dbo:pubchem "4837"^^xsd:int ;
dbo:smiles "C1CNCCN1" ;
dbp:inchikey "GLUUGHFHXGJENI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yeDAe" ;
skos:prefLabel "diethyleendiamine"@nl .
csc:HBGGXOJOCNVPFY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:590836 ;
dbo:casNumber "28553-12-0" , "68515-48-0" ;
dbo:formula "C26H42O4" ;
dbo:inchi "InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3" ;
dbo:iupacName "bis(7-methyloctyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "590836"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C" ;
dbp:inchikey "HBGGXOJOCNVPFY-UHFFFAOYSA-N" ;
skos:altLabel "di-isononylftalaat (mix van isomeren)"@nl , "diisononylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C9D810akFt" , "DiC9yFt" ;
skos:prefLabel "C9-rijk di-C8-10-vertakt alkylftalaat"@nl .
csc:OBETXYAYXDNJHR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8697 ;
dbo:casNumber "56006-48-5" , "61788-37-2" , "149-57-5" , "202054-39-5" , "83829-68-9" ;
dbo:formula "C8H16O2" ;
dbo:inchi "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" ;
dbo:iupacName "2-Ethylhexanoic acid"@en ;
dbo:pubchem "8697"^^xsd:int ;
dbo:smiles "CCCCC(CC)C(=O)O" ;
dbp:inchikey "OBETXYAYXDNJHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6azr" ;
skos:prefLabel "2-ethylhexaanzuur"@nl .
csc:WYEMLYFITZORAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:213013 ;
dbo:casNumber "188425-85-6" ;
dbo:formula "C18H12Cl2N2O" ;
dbo:inchi "InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)" ;
dbo:iupacName "2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide"@en ;
dbo:pubchem "213013"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl" ;
dbp:inchikey "WYEMLYFITZORAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004712 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "boscld" ;
skos:prefLabel "boscalid"@nl .
csc:IVDRCZNHVGQBHZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:47455 ;
dbo:casNumber "64700-56-7" , "64470-88-8" ;
dbo:formula "C13H16Cl3NO4" ;
dbo:inchi "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" ;
dbo:iupacName "2-butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate"@en ;
dbo:pubchem "47455"^^xsd:int ;
dbo:smiles "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "IVDRCZNHVGQBHZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TcpC4OxC2yEs" ;
skos:prefLabel "triclopyr-butoxyethylester"@nl .
csc:NATVSFWWYVJTAZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12471 ;
dbo:casNumber "634-93-5" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2" ;
dbo:iupacName "2,4,6-Trichloroaniline"@en ;
dbo:pubchem "12471"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)N)Cl)Cl" ;
dbp:inchikey "NATVSFWWYVJTAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TClAn" ;
skos:prefLabel "2,4,6-trichlooraniline"@nl .
csc:RWPICVVBGZBXNA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22932 ;
dbo:casNumber "6422-86-2" , "144981-82-8" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3" ;
dbo:iupacName "bis(2-ethylhexyl) benzene-1,4-dicarboxylate"@en ;
dbo:pubchem "22932"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC" ;
dbp:inchikey "RWPICVVBGZBXNA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DEHTP" ;
skos:prefLabel "bis(2-ethylhexyl)tereftalaat"@nl .
csc:PQFRTXSWDXZRRS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5094 ;
dbo:casNumber "7681-76-7" ;
dbo:formula "C6H8N4O4" ;
dbo:inchi "InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)" ;
dbo:iupacName "(1-Methyl-5-nitroimidazol-2-yl)methyl carbamate"@en ;
dbo:pubchem "5094"^^xsd:int ;
dbo:smiles "CN1C(=CN=C1COC(=O)N)[N+](=O)[O-]" ;
dbp:inchikey "PQFRTXSWDXZRRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000242 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rondzl" ;
skos:prefLabel "ronidazol"@nl .
csc:IXSZQYVWNJNRAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:153974 ;
dbo:casNumber "153233-91-1" ;
dbo:formula "C21H23F2NO2" ;
dbo:inchi "InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3" ;
dbo:iupacName "4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole"@en ;
dbo:pubchem "153974"^^xsd:int ;
dbo:smiles "CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F" ;
dbp:inchikey "IXSZQYVWNJNRAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etxzl" ;
skos:prefLabel "etoxazool"@nl .
csc:UWVQIROCRJWDKL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:53735 ;
dbo:casNumber "77732-09-3" ;
dbo:formula "C14H18N2O4" ;
dbo:inchi "InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3" ;
dbo:iupacName "N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide"@en ;
dbo:pubchem "53735"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O" ;
dbp:inchikey "UWVQIROCRJWDKL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OaDxl" ;
skos:prefLabel "oxadixyl"@nl .
csc:WFKWXMTUELFFGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23964 ;
dbo:casNumber "7440-33-7" , "37374-90-6" , "22541-98-6" ;
dbo:formula "W" ;
dbo:inchi "InChI=1S/W" ;
dbo:iupacName "Tungsten"@en ;
dbo:pubchem "23964"^^xsd:int ;
dbo:smiles "[W]" ;
dbp:inchikey "WFKWXMTUELFFGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7440-33-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "W" ;
skos:prefLabel "wolfraam"@nl ;
vcs:vmmParameterId "1980"^^xsd:int , "680"^^xsd:int .
csc:RTKIYFITIVXBLE-WKWSCTOISA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6376322 ;
dbo:casNumber "58880-19-6" ;
dbo:formula "C17H22N2O3" ;
dbo:inchi "InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+" ;
dbo:iupacName "['7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide', '(2E,4E)-7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide']"@en ;
dbo:pubchem "6376322"^^xsd:int ;
dbo:smiles "CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C" ;
dbp:inchikey "RTKIYFITIVXBLE-WKWSCTOISA-N" ;
skos:altLabel "trichostatin a"@nl ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TcstnA" ;
skos:prefLabel "trichostatin A"@nl .
csc:YTTFFPATQICAQN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14846 ;
dbo:casNumber "1589-47-5" , "148616-44-8" , "28677-93-2" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3" ;
dbo:iupacName "2-methoxypropan-1-ol"@en ;
dbo:pubchem "14846"^^xsd:int ;
dbo:smiles "CC(CO)OC" ;
dbp:inchikey "YTTFFPATQICAQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ox1C3ol" ;
skos:prefLabel "2-methoxy-1-propanol"@nl .
csc:JDUYPUMQALQRCN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7565 ;
dbo:casNumber "101-55-3" ;
dbo:formula "C12H9BrO" ;
dbo:inchi "InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H" ;
dbo:iupacName "1-bromo-4-(phenoxy)benzene"@en ;
dbo:pubchem "7565"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OC2=CC=C(C=C2)Br" ;
dbp:inchikey "JDUYPUMQALQRCN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4BrFyFyEtr" ;
skos:prefLabel "4-broomfenylfenylether"@nl .
csc:XFBJRFNXPUCPKU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17304 ;
dbo:casNumber "2524-03-0" ;
dbo:formula "C2H6ClO2PS" ;
dbo:inchi "InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3" ;
dbo:iupacName "chloro-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "17304"^^xsd:int ;
dbo:smiles "COP(=S)(OC)Cl" ;
dbp:inchikey "XFBJRFNXPUCPKU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001572 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yCltoPO4" ;
skos:prefLabel "dimethylchloorthiofosfaat"@nl .
csc:WBHQEUPUMONIKF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37036 ;
dbo:casNumber "35065-29-3" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "37036"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "WBHQEUPUMONIKF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB-180"@nl , "2,2',3,4,4',5,5'-heptachloorbifenyl"@nl , "2,2',3,4,4',5,5'-heptachloorbifenyl (pcb180)"@nl , "pcb-180"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-29-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB180" ;
skos:prefLabel "pcb 180"@nl ;
vcs:vmmParameterId "437"^^xsd:int , "1416"^^xsd:int .
csc:OFCNXPDARWKPPY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2094 ;
dbo:casNumber "184856-42-6" , "315-30-0" , "39464-14-7" , "22767-92-6" ;
dbo:formula "C5H4N4O" ;
dbo:inchi "InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)" ;
dbo:iupacName "1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one"@en ;
dbo:pubchem "2094"^^xsd:int ;
dbo:smiles "C1=C2C(=NC=NC2=O)NN1" ;
dbp:inchikey "OFCNXPDARWKPPY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004387 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "allprnl" ;
skos:prefLabel "allopurinol"@nl .
csc:SOGAXMICEFXMKE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7354 ;
dbo:casNumber "55126-77-7" , "37226-35-0" , "122526-41-4" , "97-88-1" , "51568-49-1" , "9003-63-8" , "180254-70-0" , "62169-30-6" , "106152-15-2" , "55922-77-5" , "53801-42-6" , "79331-93-4" , "102135-84-2" , "159172-35-7" , "9011-15-8" , "66828-11-3" ;
dbo:formula "C8H14O2" ;
dbo:inchi "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" ;
dbo:iupacName "butyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "7354"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C(=C)C" ;
dbp:inchikey "SOGAXMICEFXMKE-UHFFFAOYSA-N" ;
skos:altLabel "butylmethacrylaat"@nl ;
skos:broader csc:CHEMONTID_0003626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4ymtclt" ;
skos:prefLabel "n-butylmetacrylaat"@nl .
csc:HJUFTIJOISQSKQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:51605 ;
dbo:casNumber "79127-80-3" , "72490-01-8" ;
dbo:formula "C17H19NO4" ;
dbo:inchi "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" ;
dbo:iupacName "ethyl N-[2-[4-(phenoxy)phenoxy]ethyl]carbamate"@en ;
dbo:pubchem "51605"^^xsd:int ;
dbo:smiles "CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2" ;
dbp:inchikey "HJUFTIJOISQSKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenOxcb" ;
skos:prefLabel "fenoxycarb"@nl .
csc:QSHDDOUJBYECFT-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104771 ;
dbo:casNumber "13982-78-0" ;
dbo:formula "Hg" ;
dbo:inchi "InChI=1S/Hg/i1+2" ;
dbo:iupacName "mercury-203"@en ;
dbo:pubchem "104771"^^xsd:int ;
dbo:smiles "[Hg]" ;
dbp:inchikey "QSHDDOUJBYECFT-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hg203" ;
skos:prefLabel "kwik 203"@nl .
csc:HIHCTGNZNHSZPP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23536 ;
dbo:casNumber "7149-75-9" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3" ;
dbo:iupacName "4-Chloro-3-methylaniline"@en ;
dbo:pubchem "23536"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)N)Cl" ;
dbp:inchikey "HIHCTGNZNHSZPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl3C1yAn" ;
skos:prefLabel "4-chloor-3-methylaniline"@nl .
csc:BFPYWIDHMRZLRN-SLHNCBLASA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5991 ;
dbo:casNumber "57-63-6" , "77538-56-8" ;
dbo:formula "C20H24O2" ;
dbo:inchi "InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol"@en ;
dbo:pubchem "5991"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "BFPYWIDHMRZLRN-SLHNCBLASA-N" ;
skos:altLabel "ethinylestradiol"@nl ;
skos:broader csc:CHEMONTID_0003570 ;
skos:exactMatch wise:CAS_57-63-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etnetDol" ;
skos:prefLabel "17-alfa-ethinylestradiol"@nl ;
vcs:vmmParameterId "966"^^xsd:int .
csc:CJPQIRJHIZUAQP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:51369 ;
dbo:casNumber "71626-11-4" ;
dbo:formula "C20H23NO3" ;
dbo:inchi "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" ;
dbo:iupacName "methyl 2-[(2,6-dimethylphenyl)-(2-phenylacetyl)amino]propanoate"@en ;
dbo:pubchem "51369"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" ;
dbp:inchikey "CJPQIRJHIZUAQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benlxl" ;
skos:prefLabel "benalaxyl"@nl .
csc:VAYOSLLFUXYJDT-RDTXWAMCSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5761 ;
dbo:casNumber "50-37-3" ;
dbo:formula "C20H25N3O" ;
dbo:inchi "InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1" ;
dbo:iupacName "(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide"@en ;
dbo:pubchem "5761"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C" ;
dbp:inchikey "VAYOSLLFUXYJDT-RDTXWAMCSA-N" ;
skos:broader csc:CHEMONTID_0002680 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "LSD" ;
skos:prefLabel "lysergide"@nl .
csc:ILBONRFSLATCRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13689 ;
dbo:casNumber "99910-17-5" , "947-02-4" ;
dbo:formula "C7H14NO3PS2" ;
dbo:inchi "InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3" ;
dbo:iupacName "N-diethoxyphosphoryl-1,3-dithiolan-2-imine"@en ;
dbo:pubchem "13689"^^xsd:int ;
dbo:smiles "CCOP(=O)(N=C1SCCS1)OCC" ;
dbp:inchikey "ILBONRFSLATCRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000408 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosfln" ;
skos:prefLabel "fosfolan"@nl .
csc:DQRQIQZHRCRSDB-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8725 ;
dbo:casNumber "137-41-7" ;
dbo:formula "C2H4KNS2" ;
dbo:inchi "InChI=1S/C2H5NS2.K/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" ;
dbo:iupacName "potassium methylaminomethanedithioate"@en ;
dbo:pubchem "8725"^^xsd:int ;
dbo:smiles "CN=C(S)[S-].[K+]" ;
dbp:inchikey "DQRQIQZHRCRSDB-UHFFFAOYSA-M" ;
skos:altLabel "kalium n-methyldithiocarbamaat"@nl ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KNC1yDtocbmt" ;
skos:prefLabel "kalium N-methyldithiocarbamaat"@nl .
csc:WFKSADNZWSKCRZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38090 ;
dbo:casNumber "38727-55-8" , "51142-20-2" , "52002-01-4" , "62180-86-3" ;
dbo:formula "C16H22ClNO3" ;
dbo:inchi "InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3" ;
dbo:iupacName "ethyl 2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetate"@en ;
dbo:pubchem "38090"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N(CC(=O)OCC)C(=O)CCl" ;
dbp:inchikey "WFKSADNZWSKCRZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DettC2y" ;
skos:prefLabel "diethatylethyl"@nl .
csc:STJXCDGCXVZHDU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9134 ;
dbo:casNumber "194-59-2" , "28641-62-5" ;
dbo:formula "C20H13N" ;
dbo:inchi "InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H" ;
dbo:iupacName "12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene"@en ;
dbo:pubchem "9134"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C4=C(N3)C=CC5=CC=CC=C54" ;
dbp:inchikey "STJXCDGCXVZHDU-UHFFFAOYSA-N" ;
skos:altLabel "7h-dibenzo(c,g)carbazol"@nl ;
skos:broader csc:CHEMONTID_0000210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "7HDbzcgcbzl" ;
skos:prefLabel "7H-dibenzo(c,g)carbazol"@nl .
csc:SBPBAQFWLVIOKP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2730 ;
dbo:casNumber "12768-48-8" , "39475-55-3" , "2921-88-2" ;
dbo:formula "C9H11Cl3NO3PS" ;
dbo:inchi "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane"@en ;
dbo:pubchem "2730"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "SBPBAQFWLVIOKP-UHFFFAOYSA-N" ;
skos:altLabel "ethylchloorpyrifos"@nl , "chloorpyrifos"@nl , "chlorpyrifos"@nl ;
skos:broader csc:CHEMONTID_0004623 ;
skos:exactMatch wise:CAS_2921-88-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yClprfs" ;
skos:prefLabel "chloorpyrifos-ethyl"@nl ;
vcs:vmmParameterId "686"^^xsd:int .
csc:WCXDHFDTOYPNIE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:213021 ;
dbo:casNumber "160430-64-8" , "135410-20-7" ;
dbo:formula "C10H11ClN4" ;
dbo:inchi "InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3" ;
dbo:iupacName "N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide"@en ;
dbo:pubchem "213021"^^xsd:int ;
dbo:smiles "CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl" ;
dbp:inchikey "WCXDHFDTOYPNIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:exactMatch wise:CAS_135410-20-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actmpd" ;
skos:prefLabel "acetamiprid"@nl ;
vcs:vmmParameterId "1505"^^xsd:int .
csc:KAATUXNTWXVJKI-DXCJPMOASA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:49833 ;
dbo:casNumber "67375-30-8" , "70982-02-4" ;
dbo:formula "C22H19Cl2NO3" ;
dbo:inchi "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20-/m0/s1" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "49833"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" ;
dbp:inchikey "KAATUXNTWXVJKI-DXCJPMOASA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acpmtn" ;
skos:prefLabel "alfa-cypermethrin"@nl .
csc:ADPGKKZKGXANON-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61495 ;
dbo:casNumber "12001-15-9" , "10213-79-3" , "1344-09-8" ;
dbo:formula "H10Na2O8Si" ;
dbo:inchi "InChI=1S/2Na.O3Si.5H2O/c;;1-4(2)3;;;;;/h;;;5*1H2/q2*+1;-2;;;;;" ;
dbo:iupacName "disodium dioxido-oxosilane pentahydrate"@en ;
dbo:pubchem "61495"^^xsd:int ;
dbo:smiles "O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+]" ;
dbp:inchikey "ADPGKKZKGXANON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaSiO2" ;
skos:prefLabel "natriumsilicaat"@nl .
csc:KDSNLYIMUZNERS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6558 ;
dbo:casNumber "78-81-9" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3" ;
dbo:iupacName "2-methylpropan-1-amine"@en ;
dbo:pubchem "6558"^^xsd:int ;
dbo:smiles "CC(C)CN" ;
dbp:inchikey "KDSNLYIMUZNERS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yAe" ;
skos:prefLabel "isobutylamine"@nl .
csc:JHRWWRDRBPCWTF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17038 ;
dbo:casNumber "2425-06-1" , "2939-80-2" , "61913-12-0" , "30017-05-1" ;
dbo:formula "C10H9Cl4NO2S" ;
dbo:inchi "InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2" ;
dbo:iupacName "2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione"@en ;
dbo:pubchem "17038"^^xsd:int ;
dbo:smiles "C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "JHRWWRDRBPCWTF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "captfl" ;
skos:prefLabel "captafol"@nl .
csc:RUDINRUXCKIXAJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:67822 ;
dbo:casNumber "376-06-7" ;
dbo:formula "C14HF27O2" ;
dbo:inchi "InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid"@en ;
dbo:pubchem "67822"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "RUDINRUXCKIXAJ-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-tetradecaanzuur (pfteda)"@nl , "perfluortetradecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFTeDA" ;
skos:prefLabel "perfluor-n-tetradecaanzuur"@nl .
csc:IBSQPLPBRSHTTG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7238 ;
dbo:casNumber "95-49-8" ;
dbo:formula "C7H7Cl" ;
dbo:inchi "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" ;
dbo:iupacName "1-Chloro-2-methylbenzene"@en ;
dbo:pubchem "7238"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1Cl" ;
dbp:inchikey "IBSQPLPBRSHTTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_95-49-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClTol" ;
skos:prefLabel "2-chloortolueen"@nl ;
vcs:vmmParameterId "353"^^xsd:int .
csc:PCZHWPSNPWAQNF-LMOVPXPDSA-K
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:219084 ;
dbo:casNumber "135326-11-3" ;
dbo:formula "C23H30GdN3O11" ;
dbo:inchi "InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3/t17-;/m0./s1" ;
dbo:iupacName "2-[[(2S)-2-[bis(2-oxido-2-oxoethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation; hydron"@en ;
dbo:pubchem "219084"^^xsd:int ;
dbo:smiles "[H+].[H+].CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]" ;
dbp:inchikey "PCZHWPSNPWAQNF-LMOVPXPDSA-K" ;
skos:broader csc:CHEMONTID_0002995 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gadxzr" ;
skos:prefLabel "gadoxeetzuur"@nl .
csc:FYOFOKCECDGJBF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:26040 ;
dbo:casNumber "37220-42-1" , "36823-35-5" , "540770-45-4" , "13463-40-6" ;
dbo:formula "C5FeO5" ;
dbo:inchi "InChI=1S/5CO.Fe/c5*1-2;" ;
dbo:iupacName "carbon monoxide; iron"@en ;
dbo:pubchem "26040"^^xsd:int ;
dbo:smiles "C=O.C=O.C=O.C=O.C=O.[Fe]" ;
dbp:inchikey "FYOFOKCECDGJBF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FePecbnl" ;
skos:prefLabel "ijzerpentacarbonyl"@nl .
csc:RBACIKXCRWGCBB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7834 ;
dbo:casNumber "1331-08-4" , "106-88-7" , "55555-96-9" , "26249-20-7" , "59915-64-9" , "26140-56-7" , "38721-59-4" , "28347-41-3" ;
dbo:formula "C4H8O" ;
dbo:inchi "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" ;
dbo:iupacName "2-Ethyloxirane"@en ;
dbo:pubchem "7834"^^xsd:int ;
dbo:smiles "CCC1CO1" ;
dbp:inchikey "RBACIKXCRWGCBB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C4yeO" ;
skos:prefLabel "1,2-butyleenoxide"@nl .
csc:SPPWGCYEYAMHDT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7486 ;
dbo:casNumber "100-18-5" , "700-18-5" ;
dbo:formula "C12H18" ;
dbo:inchi "InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3" ;
dbo:iupacName "1,4-di(propan-2-yl)benzene"@en ;
dbo:pubchem "7486"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)C(C)C" ;
dbp:inchikey "SPPWGCYEYAMHDT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DiC3yeBen" ;
skos:prefLabel "1,4-di-isopropylbenzeen"@nl .
csc:AOMUHOFOVNGZAN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8430 ;
dbo:casNumber "72968-36-6" , "83590-20-9" , "39341-48-5" , "15517-64-3" , "83452-99-7" , "92680-75-6" , "120-40-1" ;
dbo:formula "C16H33NO3" ;
dbo:inchi "InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3" ;
dbo:iupacName "N,N-Bis(2-hydroxyethyl)dodecanamide"@en ;
dbo:pubchem "8430"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC(=O)N(CCO)CCO" ;
dbp:inchikey "AOMUHOFOVNGZAN-UHFFFAOYSA-N" ;
skos:altLabel "dodecaanamide n,n-bis2-hydroxyethyl"@nl ;
skos:broader csc:CHEMONTID_0001096 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12aAdNNb2Ho" ;
skos:prefLabel "dodecaanamide N,N-bis2-hydroxyethyl"@nl .
csc:DAFHKNAQFPVRKR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6490 ;
dbo:casNumber "25134-27-4" , "80525-37-7" , "77-68-9" , "141136-23-4" , "25265-77-4" , "129383-05-7" ;
dbo:formula "C12H24O3" ;
dbo:inchi "InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3" ;
dbo:iupacName "(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate"@en ;
dbo:pubchem "6490"^^xsd:int ;
dbo:smiles "CC(C)C(C(C)(C)COC(=O)C(C)C)O" ;
dbp:inchikey "DAFHKNAQFPVRKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "texanl" ;
skos:prefLabel "texanol"@nl .
csc:RSXXYTIHSOOFBG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:297310 ;
dbo:casNumber "36209-71-9" ;
dbo:formula "C12H15NO3" ;
dbo:inchi "InChI=1S/C12H15NO3/c1-8(13-9(2)14)5-10-3-4-11-12(6-10)16-7-15-11/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)" ;
dbo:iupacName "N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]acetamide"@en ;
dbo:pubchem "297310"^^xsd:int ;
dbo:smiles "CC(CC1=CC2=C(C=C1)OCO2)NC(=O)C" ;
dbp:inchikey "RSXXYTIHSOOFBG-UHFFFAOYSA-N" ;
skos:altLabel "N-acetyl-3,4-methyleendioxyamfetamine"@nl ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nact34C1yeDO" ;
skos:prefLabel "n-acetyl-3,4-methyleendioxyamfetamine"@nl .
csc:LGDSHSYDSCRFAB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11167 ;
dbo:casNumber "556-61-6" ;
dbo:formula "C2H3NS" ;
dbo:inchi "InChI=1S/C2H3NS/c1-3-2-4/h1H3" ;
dbo:iupacName "methylimino-sulfanylidenemethane"@en ;
dbo:pubchem "11167"^^xsd:int ;
dbo:smiles "CN=C=S" ;
dbp:inchikey "LGDSHSYDSCRFAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001234 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yitoCN" ;
skos:prefLabel "methylisothiocyanaat"@nl .
csc:ODNRTOSCFYDTKF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:35364 ;
dbo:casNumber "1795-27-3" , "1839-63-0" , "1795-26-2" ;
dbo:formula "C9H18" ;
dbo:inchi "InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3" ;
dbo:iupacName "1,3,5-Trimethylcyclohexane"@en ;
dbo:pubchem "35364"^^xsd:int ;
dbo:smiles "CC1CC(CC(C1)C)C" ;
dbp:inchikey "ODNRTOSCFYDTKF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TC1yccC6a" ;
skos:prefLabel "1,3,5-trimethylcyclohexaan"@nl .
csc:HNDLJIIQWDVRRI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:248472 ;
dbo:casNumber "778-83-6" ;
dbo:formula "C9H7Cl3O3" ;
dbo:inchi "InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-6(11)2-5(10)3-7(8)12/h2-4H,1H3,(H,13,14)" ;
dbo:iupacName "2-(2,4,6-trichlorophenoxy)propanoic acid"@en ;
dbo:pubchem "248472"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=C(C=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "HNDLJIIQWDVRRI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2246TClfOxpp" ;
skos:prefLabel "2-(2,4,6-trichloorfenoxy)propion zuur"@nl .
csc:QUWSDLYBOVGOCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16685 ;
dbo:casNumber "2227-13-6" ;
dbo:formula "C12H6Cl4S" ;
dbo:inchi "InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H" ;
dbo:iupacName "1,2,4-trichloro-5-(4-chlorophenyl)sulfanylbenzene"@en ;
dbo:pubchem "16685"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "QUWSDLYBOVGOCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4sl" ;
skos:prefLabel "tetrasul"@nl .
csc:XJUZRXYOEPSWMB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7864 ;
dbo:casNumber "107-30-2" ;
dbo:formula "C2H5ClO" ;
dbo:inchi "InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3" ;
dbo:iupacName "chloro-methoxymethane"@en ;
dbo:pubchem "7864"^^xsd:int ;
dbo:smiles "COCCl" ;
dbp:inchikey "XJUZRXYOEPSWMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClDC1yEtr" ;
skos:prefLabel "chloordimethylether"@nl .
csc:XEKOWRVHYACXOJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8857 ;
dbo:casNumber "141-78-6" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" ;
dbo:iupacName "Ethyl acetate"@en ;
dbo:pubchem "8857"^^xsd:int ;
dbo:smiles "CCOC(=O)C" ;
dbp:inchikey "XEKOWRVHYACXOJ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_000 , co:LUC_IV_004 ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yactt" ;
skos:prefLabel "ethylacetaat"@nl .
csc:AJYPYWFCUWHZMZ-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6365369 ;
dbo:casNumber "129396-21-0" , "32113-41-0" , "10066-90-7" ;
dbo:formula "C8H8KNO5S" ;
dbo:inchi "InChI=1S/C8H9NO5S.K/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13;/h2-5H,1H3,(H,9,10)(H,11,12,13);/q;+1/p-1" ;
dbo:iupacName "potassium (4-acetamidophenyl) sulfate"@en ;
dbo:pubchem "6365369"^^xsd:int ;
dbo:smiles "CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]" ;
dbp:inchikey "AJYPYWFCUWHZMZ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0002626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actmnpSO4Esr" ;
skos:prefLabel "acetaminophen sulfaatester"@nl .
csc:FGIWFCGDPUIBEZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37995 ;
dbo:casNumber "38260-54-7" ;
dbo:formula "C10H17N2O4PS" ;
dbo:inchi "InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3" ;
dbo:iupacName "(6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "37995"^^xsd:int ;
dbo:smiles "CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC" ;
dbp:inchikey "FGIWFCGDPUIBEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004771 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfs" ;
skos:prefLabel "etrimfos"@nl .
csc:RMIODHQZRUFFFF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12251 ;
dbo:casNumber "625-45-6" ;
dbo:formula "C3H6O3" ;
dbo:inchi "InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)" ;
dbo:iupacName "2-Methoxyacetic acid"@en ;
dbo:pubchem "12251"^^xsd:int ;
dbo:smiles "COCC(=O)O" ;
dbp:inchikey "RMIODHQZRUFFFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxHAc" ;
skos:prefLabel "methoxyazijnzuur"@nl .
csc:APQIUTYORBAGEZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11201 ;
dbo:casNumber "557-91-5" , "25620-62-6" ;
dbo:formula "C2H4Br2" ;
dbo:inchi "InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3" ;
dbo:iupacName "1,1-DIBROMOETHANE"@en ;
dbo:pubchem "11201"^^xsd:int ;
dbo:smiles "CC(Br)Br" ;
dbp:inchikey "APQIUTYORBAGEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001515 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DBrC2a" ;
skos:prefLabel "1,1-dibroomethaan"@nl .
csc:IMHBYKMAHXWHRP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7541 ;
dbo:casNumber "101-05-3" ;
dbo:formula "C9H5Cl3N4" ;
dbo:inchi "InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)" ;
dbo:iupacName "4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine"@en ;
dbo:pubchem "7541"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl" ;
dbp:inchikey "IMHBYKMAHXWHRP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "anlzne" ;
skos:prefLabel "anilazine"@nl .
csc:IOPTXXRNXCPJGO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:119490 ;
dbo:casNumber "53380-23-7" ;
dbo:formula "C11H15NO4S" ;
dbo:inchi "InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)" ;
dbo:iupacName "[2-(ethylsulfonylmethyl)phenyl] N-methylcarbamate"@en ;
dbo:pubchem "119490"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)CC1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "IOPTXXRNXCPJGO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etofcbsfn" ;
skos:prefLabel "ethiofencarbsulfon"@nl .
csc:QZYNWJQFTJXIRN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12468 ;
dbo:casNumber "634-90-2" , "63697-21-2" ;
dbo:formula "C6H2Cl4" ;
dbo:inchi "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H" ;
dbo:iupacName "1,2,3,5-Tetrachlorobenzene"@en ;
dbo:pubchem "12468"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)Cl" ;
dbp:inchikey "QZYNWJQFTJXIRN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1235T4ClBen" ;
skos:prefLabel "1,2,3,5-tetrachloorbenzeen"@nl .
csc:ZAXXZBQODQDCOW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3033863 ;
dbo:casNumber "84540-57-8" ;
dbo:formula "C6H12O3" ;
dbo:inchi "InChI=1S/C6H12O3/c1-4-6(8-3)9-5(2)7/h6H,4H2,1-3H3" ;
dbo:iupacName "1-methoxypropyl acetate"@en ;
dbo:pubchem "3033863"^^xsd:int ;
dbo:smiles "CCC(OC)OC(=O)C" ;
dbp:inchikey "ZAXXZBQODQDCOW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxC3yactt" ;
skos:prefLabel "1-methoxypropylacetaat"@nl .
csc:NRNWARROUIEBPJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
dbo:casNumber "639-58-7" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/3C6H5.Cl.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;;" ;
dbo:iupacName "chloro-tri(phenyl)stannane"@en ;
dbo:smiles "0" ;
dbp:inchikey "NRNWARROUIEBPJ-UHFFFAOYSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "trifenyltinchloride"@nl .
csc:VGPIBGGRCVEHQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91656 ;
dbo:casNumber "55179-31-2" ;
dbo:formula "C20H23N3O2" ;
dbo:inchi "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" ;
dbo:iupacName "3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "91656"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O" ;
dbp:inchikey "VGPIBGGRCVEHQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bittnl" ;
skos:prefLabel "bitertanol"@nl .
csc:AYAPZOUDXCDGIF-FRFVDRIFSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:64712 ;
dbo:casNumber "147-52-4" , "985-16-0" ;
dbo:formula "C21H21N2NaO5S" ;
dbo:inchi "InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1" ;
dbo:iupacName "sodium (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate"@en ;
dbo:pubchem "64712"^^xsd:int ;
dbo:smiles "CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]" ;
dbp:inchikey "AYAPZOUDXCDGIF-FRFVDRIFSA-M" ;
skos:broader csc:CHEMONTID_0001189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nafclne" ;
skos:prefLabel "nafcilline"@nl .
csc:WKDZZKIPDBZSRW-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16683944 ;
dbo:casNumber "3626-13-9" ;
dbo:formula "C8H8HgO2" ;
dbo:inchi "InChI=1S/C7H6O2.CH3.Hg/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);1H3;/q;;+1/p-1" ;
dbo:iupacName "benzoyloxy-methylmercury"@en ;
dbo:pubchem "16683944"^^xsd:int ;
dbo:smiles "C[Hg]OC(=O)C1=CC=CC=C1" ;
dbp:inchikey "WKDZZKIPDBZSRW-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0002565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yHgbzat" ;
skos:prefLabel "methylkwikbenzoaat"@nl .
csc:XWPZUHJBOLQNMN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86210 ;
dbo:casNumber "125116-23-6" ;
dbo:formula "C17H22ClN3O" ;
dbo:inchi "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" ;
dbo:iupacName "5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol"@en ;
dbo:pubchem "86210"^^xsd:int ;
dbo:smiles "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" ;
dbp:inchikey "XWPZUHJBOLQNMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metcnzl" ;
skos:prefLabel "metconazool"@nl .
csc:WSABLXKFAPKFSO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21420 ;
dbo:casNumber "5336-24-3" ;
dbo:formula "C9H20N2O" ;
dbo:inchi "InChI=1S/C9H20N2O/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)" ;
dbo:iupacName "1,3-ditert-butylurea"@en ;
dbo:pubchem "21420"^^xsd:int ;
dbo:smiles "CC(C)(C)NC(=O)NC(C)(C)C" ;
dbp:inchikey "WSABLXKFAPKFSO-UHFFFAOYSA-N" ;
skos:altLabel "N,N'-bis(1,1-dimethylethyl)ureum"@nl ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNb11DC1yC2y" ;
skos:prefLabel "n,n'-bis(1,1-dimethylethyl)ureum"@nl .
csc:PXSOHRWMIRDKMP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6235 ;
dbo:casNumber "8059-32-3" , "68-76-8" ;
dbo:formula "C12H13N3O2" ;
dbo:inchi "InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2" ;
dbo:iupacName "2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione"@en ;
dbo:pubchem "6235"^^xsd:int ;
dbo:smiles "C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4" ;
dbp:inchikey "PXSOHRWMIRDKMP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tazcn" ;
skos:prefLabel "triazichon"@nl .
csc:JBXZCPXEYAEMJS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23108 ;
dbo:casNumber "6627-34-5" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2" ;
dbo:iupacName "2,5-Dichloro-4-nitroaniline"@en ;
dbo:pubchem "23108"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)[N+](=O)[O-])Cl)N" ;
dbp:inchikey "JBXZCPXEYAEMJS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DCl4NO2An" ;
skos:prefLabel "2,5-dichloor-4-nitroaniline"@nl .
csc:UDMZPLROONOSEF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40475 ;
dbo:casNumber "52663-68-0" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-11(18)8(16)3-9(17)12(10)19/h1-3H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40475"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "UDMZPLROONOSEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB187" ;
skos:prefLabel "2,2',3,4',5,5',6-heptachloorbifenyl"@nl .
csc:WNTGYJSOUMFZEP-SSDOTTSWSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:185588 ;
dbo:casNumber "16484-77-8" ;
dbo:formula "C10H11ClO3" ;
dbo:inchi "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1" ;
dbo:iupacName "(2R)-2-(4-chloro-2-methylphenoxy)propanoic acid"@en ;
dbo:pubchem "185588"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O" ;
dbp:inchikey "WNTGYJSOUMFZEP-SSDOTTSWSA-N" ;
skos:altLabel "mecoprop-p"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mecppP" ;
skos:prefLabel "mecoprop-P"@nl .
csc:FSPZPQQWDODWAU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:38439 ;
dbo:casNumber "40321-76-4" ;
dbo:formula "C12H3Cl5O2" ;
dbo:inchi "InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H" ;
dbo:iupacName "1,2,3,7,8-pentachlorooxanthrene"@en ;
dbo:pubchem "38439"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl" ;
dbp:inchikey "FSPZPQQWDODWAU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,7,8-pentachloordibenzodioxine"@nl , " 1,2,3,7,8-pentachloordibenzodioxine"@nl , "1,2,3,7,8-pentachloordibenzo-p-dioxine"@nl , "1,2,3,7,8-pentachloordibenzo-para-dioxine"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_40321-76-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD54" ;
skos:prefLabel "1,2,3,7,8-pentachloordibenzodioxine (pecdd)"@nl ;
vcs:vmmParameterId "1247"^^xsd:int .
csc:CBMXCNPQDUJNHT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11328 ;
dbo:casNumber "575-43-9" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3" ;
dbo:iupacName "1,6-Dimethylnaphthalene"@en ;
dbo:pubchem "11328"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC(=C2C=C1)C" ;
dbp:inchikey "CBMXCNPQDUJNHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "16DC1yNaf" ;
skos:prefLabel "1,6-dimethylnaftaleen"@nl .
csc:NHZLNPMOSADWGC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5338 ;
dbo:casNumber "8027-68-7" , "59-40-5" ;
dbo:formula "C14H12N4O2S" ;
dbo:inchi "InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)" ;
dbo:iupacName "4-amino-N-quinoxalin-2-ylbenzenesulfonamide"@en ;
dbo:pubchem "5338"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N" ;
dbp:inchikey "NHZLNPMOSADWGC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000486 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfqoxlne" ;
skos:prefLabel "sulfaquinoxaline"@nl .
csc:QSNSCYSYFYORTR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7812 ;
dbo:casNumber "106-47-8" ;
dbo:formula "C6H6ClN" ;
dbo:inchi "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" ;
dbo:iupacName "4-Chloroaniline"@en ;
dbo:pubchem "7812"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)Cl" ;
dbp:inchikey "QSNSCYSYFYORTR-UHFFFAOYSA-N" ;
skos:altLabel "4-chlooraniline"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_106-47-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClAn" ;
skos:prefLabel "p-chlooraniline"@nl ;
vcs:vmmParameterId "51"^^xsd:int .
csc:TVFDJXOCXUVLDH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5354618 ;
dbo:casNumber "24347-12-4" , "7440-46-2" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs" ;
dbo:iupacName "CESIUM"@en ;
dbo:pubchem "5354618"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "TVFDJXOCXUVLDH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs" ;
skos:prefLabel "cesium"@nl .
csc:RYLHNOVXKPXDIP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91766 ;
dbo:casNumber "101463-69-8" ;
dbo:formula "C21H11ClF6N2O3" ;
dbo:inchi "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" ;
dbo:iupacName "N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "91766"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)F)F" ;
dbp:inchikey "RYLHNOVXKPXDIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flufnxrn" ;
skos:prefLabel "flufenoxuron"@nl .
csc:BAJQRLZAPXASRD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7114 ;
dbo:casNumber "92-93-3" , "28984-85-2" ;
dbo:formula "C12H9NO2" ;
dbo:inchi "InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H" ;
dbo:iupacName "1-Nitro-4-phenylbenzene"@en ;
dbo:pubchem "7114"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]" ;
dbp:inchikey "BAJQRLZAPXASRD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2DFy" ;
skos:prefLabel "4-nitrodifenyl"@nl .
csc:XMWRWTSZNLOZFN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62329 ;
dbo:casNumber "81-15-2" ;
dbo:formula "C12H15N3O6" ;
dbo:inchi "InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3" ;
dbo:iupacName "1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene"@en ;
dbo:pubchem "62329"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]" ;
dbp:inchikey "XMWRWTSZNLOZFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "muskxln" ;
skos:prefLabel "musk-xyleen"@nl .
csc:CHIFOSRWCNZCFN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:38479 ;
dbo:casNumber "64667-17-0" , "39336-60-2" , "155421-40-2" , "64719-41-1" , "40487-42-1" ;
dbo:formula "C13H19N3O4" ;
dbo:inchi "InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3" ;
dbo:iupacName "3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline"@en ;
dbo:pubchem "38479"^^xsd:int ;
dbo:smiles "CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]" ;
dbp:inchikey "CHIFOSRWCNZCFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:exactMatch wise:CAS_40487-42-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pendmtln" ;
skos:prefLabel "pendimethalin"@nl ;
vcs:vmmParameterId "1475"^^xsd:int .
csc:SLSSBKMDWYZIRQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:108344 ;
dbo:casNumber "55525-54-7" ;
dbo:formula "C23H38N4O3" ;
dbo:inchi "InChI=1S/C23H38N4O3/c1-20(2)7-17(26-15-28)9-22(5,11-20)13-24-19(30)25-14-23(6)10-18(27-16-29)8-21(3,4)12-23/h17-18H,7-14H2,1-6H3,(H2,24,25,30)" ;
dbo:iupacName "1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea"@en ;
dbo:pubchem "108344"^^xsd:int ;
dbo:smiles "CC1(CC(CC(C1)(C)CNC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)N=C=O)C" ;
dbp:inchikey "SLSSBKMDWYZIRQ-UHFFFAOYSA-N" ;
skos:altLabel "N,N'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum"@nl ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNb5iCN133TC" ;
skos:prefLabel "n,n'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum"@nl .
csc:VHKXXVVRRDYCIK-CWCPJSEDSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65452 ;
dbo:casNumber "55134-13-9" ;
dbo:formula "C43H72O11" ;
dbo:inchi "InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1" ;
dbo:iupacName "(2R)-2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid"@en ;
dbo:pubchem "65452"^^xsd:int ;
dbo:smiles "CCC(C1C(CC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C)C(=O)O" ;
dbp:inchikey "VHKXXVVRRDYCIK-CWCPJSEDSA-N" ;
skos:broader csc:CHEMONTID_0001755 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "narsne" ;
skos:prefLabel "narasine"@nl .
csc:RGCLLPNLLBQHPF-CMDGGOBGSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033834 ;
dbo:casNumber "13170-92-8" , "297-99-4" ;
dbo:formula "C10H19ClNO5P" ;
dbo:inchi "InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8+" ;
dbo:iupacName "[(E)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate"@en ;
dbo:pubchem "3033834"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl" ;
dbp:inchikey "RGCLLPNLLBQHPF-CMDGGOBGSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tfosfmdn" ;
skos:prefLabel "trans-fosfamidon"@nl .
csc:GCKFUYQCUCGESZ-KIIRVTSASA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40976 ;
dbo:casNumber "165050-21-5" , "54048-10-1" ;
dbo:formula "C22H28O2" ;
dbo:inchi "InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17?,18?,19?,20?,21?,22-/m0/s1" ;
dbo:iupacName "(17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "40976"^^xsd:int ;
dbo:smiles "CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34" ;
dbp:inchikey "GCKFUYQCUCGESZ-KIIRVTSASA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etngtl" ;
skos:prefLabel "etonogestrel"@nl .
csc:QYPPRTNMGCREIM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8948 ;
dbo:casNumber "124-58-3" , "35745-11-0" , "4950-59-8" ;
dbo:formula "CH5AsO3" ;
dbo:inchi "InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)" ;
dbo:iupacName "Methylarsonic acid"@en ;
dbo:pubchem "8948"^^xsd:int ;
dbo:smiles "C[As](=O)(O)O" ;
dbp:inchikey "QYPPRTNMGCREIM-UHFFFAOYSA-N" ;
skos:altLabel "monomethyl arseenzuur"@nl ;
skos:broader csc:CHEMONTID_0004239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC1yAszr" ;
skos:prefLabel "monomethylarseenzuur"@nl .
csc:SNKLPZOJLXDZCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7379 ;
dbo:casNumber "98-27-1" ;
dbo:formula "C11H16O" ;
dbo:inchi "InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3" ;
dbo:iupacName "4-tert-Butyl-2-methylphenol"@en ;
dbo:pubchem "7379"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)C(C)(C)C)O" ;
dbp:inchikey "SNKLPZOJLXDZCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "411DC1yC2y2C" ;
skos:prefLabel "4-(1,1-dimethylethyl)-2-methyl-fenol"@nl .
csc:RYMZZMVNJRMUDD-HGQWONQESA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:54454 ;
dbo:casNumber "79902-63-9" ;
dbo:formula "C25H38O5" ;
dbo:inchi "InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1" ;
dbo:iupacName "[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate"@en ;
dbo:pubchem "54454"^^xsd:int ;
dbo:smiles "CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C" ;
dbp:inchikey "RYMZZMVNJRMUDD-HGQWONQESA-N" ;
skos:broader csc:CHEMONTID_0001244 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "simvstne" ;
skos:prefLabel "simvastatine"@nl .
csc:SGNBVLSWZMBQTH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:312822 ;
dbo:casNumber "474-62-4" ;
dbo:formula "C28H48O" ;
dbo:inchi "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3" ;
dbo:iupacName "17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "312822"^^xsd:int ;
dbo:smiles "CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C" ;
dbp:inchikey "SGNBVLSWZMBQTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001403 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "campEsrol" ;
skos:prefLabel "campesterol"@nl .
csc:ABOOPXYCKNFDNJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:178795 ;
dbo:casNumber "76578-12-6" , "95977-28-9" ;
dbo:formula "C17H13ClN2O4" ;
dbo:inchi "InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)" ;
dbo:iupacName "2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid"@en ;
dbo:pubchem "178795"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" ;
dbp:inchikey "ABOOPXYCKNFDNJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quizlfp" ;
skos:prefLabel "quizalofop"@nl .
csc:ZESRJSPZRDMNHY-YFWFAHHUSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6166 ;
dbo:casNumber "64-85-7" ;
dbo:formula "C21H30O3" ;
dbo:inchi "InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "6166"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C" ;
dbp:inchikey "ZESRJSPZRDMNHY-YFWFAHHUSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dOxctctrn" ;
skos:prefLabel "deoxycorticosteron"@nl .
csc:CUBICSJJYOPOIA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29995 ;
dbo:casNumber "20189-42-8" ;
dbo:formula "C7H9NO2" ;
dbo:inchi "InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)" ;
dbo:iupacName "3-ethyl-4-methylpyrrole-2,5-dione"@en ;
dbo:pubchem "29995"^^xsd:int ;
dbo:smiles "CCC1=C(C(=O)NC1=O)C" ;
dbp:inchikey "CUBICSJJYOPOIA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003203 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2y4C1yprl2" ;
skos:prefLabel "3-ethyl-4-methylpyrrol-2,5-dion"@nl .
csc:MIOPJNTWMNEORI-XVKPBYJWSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6992131 ;
dbo:casNumber "3144-16-9" ;
dbo:formula "C10H15O4S-" ;
dbo:inchi "InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1/t7-,10-/m0/s1" ;
dbo:iupacName "[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate"@en ;
dbo:pubchem "6992131"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C" ;
dbp:inchikey "MIOPJNTWMNEORI-XVKPBYJWSA-M" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "campsfzr" ;
skos:prefLabel "camphorsulfonzuur"@nl .
csc:WXCMHFPAUCOJIG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6669 ;
dbo:casNumber "81-14-1" ;
dbo:formula "C14H18N2O5" ;
dbo:inchi "InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3" ;
dbo:iupacName "1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone"@en ;
dbo:pubchem "6669"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C" ;
dbp:inchikey "WXCMHFPAUCOJIG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "muskketn" ;
skos:prefLabel "musk keton"@nl .
csc:PCHJSUWPFVWCPO-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66274 ;
dbo:casNumber "10043-49-9" ;
dbo:formula "Au" ;
dbo:inchi "InChI=1S/Au/i1+1" ;
dbo:iupacName "gold-198"@en ;
dbo:pubchem "66274"^^xsd:int ;
dbo:smiles "[Au]" ;
dbp:inchikey "PCHJSUWPFVWCPO-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Au198" ;
skos:prefLabel "goud 198"@nl .
vlcs:chemische_stof rdf:type skos:ConceptScheme ;
xkos:belongsTo omg_dataset:codelijst-chemische_stof ;
skos:definition "Een stof is in de scheikunde een vorm van materie die een gelijke chemische samenstelling heeft, een chemisch zuivere stof. Deze wordt gekenmerkt door specifieke, uniforme stofeigenschappen, zoals dichtheid, geleidbaarheid en smeltpunt."@nl ;
skos:prefLabel "Conceptschema Chemische Stoffen"@nl .
csc:XITQUSLLOSKDTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15787 ;
dbo:casNumber "51274-07-8" , "1836-75-5" ;
dbo:formula "C12H7Cl2NO3" ;
dbo:inchi "InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H" ;
dbo:iupacName "2,4-Dichloro-1-(4-nitrophenoxy)benzene"@en ;
dbo:pubchem "15787"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "XITQUSLLOSKDTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO2fn" ;
skos:prefLabel "nitrofen"@nl .
csc:IJGRMHOSHXDMSA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:947 ;
dbo:casNumber "7727-37-9" , "161728-27-4" , "93037-13-9" , "156457-45-3" ;
dbo:formula "N2" ;
dbo:inchi "InChI=1S/N2/c1-2" ;
dbo:iupacName "molecular nitrogen"@en ;
dbo:pubchem "947"^^xsd:int ;
dbo:smiles "N#N" ;
dbp:inchikey "IJGRMHOSHXDMSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000553 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N2" ;
skos:prefLabel "distikstof"@nl .
csc:WUYJXWRFOUCHEB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22796 ;
dbo:casNumber "88-05-1" , "6334-11-8" ;
dbo:formula "C9H14ClN" ;
dbo:inchi "InChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H" ;
dbo:iupacName "(2,4,6-trimethylphenyl)azanium chloride"@en ;
dbo:pubchem "22796"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)[NH3+])C.[Cl-]" ;
dbp:inchikey "WUYJXWRFOUCHEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TC1yAn" ;
skos:prefLabel "2,4,6-trimethylaniline"@nl .
csc:RNABGKOKSBUFHW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12064 ;
dbo:casNumber "618-62-2" , "33150-95-7" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H" ;
dbo:iupacName "1,3-Dichloro-5-nitrobenzene"@en ;
dbo:pubchem "12064"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "RNABGKOKSBUFHW-UHFFFAOYSA-N" ;
skos:altLabel "1,3-dichloor-5-nitrobenzeen"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DCl5NO2Ben" ;
skos:prefLabel "3,5-dichloornitrobenzeen"@nl .
csc:UGCSPKPEHQEOSR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6427 ;
dbo:casNumber "76-12-0" ;
dbo:formula "C2Cl4F2" ;
dbo:inchi "InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8" ;
dbo:iupacName "1,1,2,2-Tetrachloro-1,2-difluoroethane"@en ;
dbo:pubchem "6427"^^xsd:int ;
dbo:smiles "C(C(F)(Cl)Cl)(F)(Cl)Cl" ;
dbp:inchikey "UGCSPKPEHQEOSR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK112" ;
skos:prefLabel "1,1,2,2-tetrachloor-1,2-difluorethaan"@nl .
csc:MRMOZBOQVYRSEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6511 ;
dbo:casNumber "78-00-2" ;
dbo:formula "C8H20Pb" ;
dbo:inchi "InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;" ;
dbo:iupacName "Tetraethylplumbane"@en ;
dbo:pubchem "6511"^^xsd:int ;
dbo:smiles "CC[Pb](CC)(CC)CC" ;
dbp:inchikey "MRMOZBOQVYRSEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004289 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C2yPb" ;
skos:prefLabel "tetraethyllood"@nl .
csc:VSZGPKBBMSAYNT-RRFJBIMHSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65028 ;
dbo:casNumber "196618-13-0" ;
dbo:formula "C16H28N2O4" ;
dbo:inchi "InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1" ;
dbo:iupacName "ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate"@en ;
dbo:pubchem "65028"^^xsd:int ;
dbo:smiles "CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC" ;
dbp:inchikey "VSZGPKBBMSAYNT-RRFJBIMHSA-N" ;
skos:broader csc:CHEMONTID_0001880 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ostmvr" ;
skos:prefLabel "oseltamivir"@nl .
csc:KOMNUTZXSVSERR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13931 ;
dbo:casNumber "109521-50-8" , "196519-94-5" , "123339-46-8" , "1025-15-6" ;
dbo:formula "C12H15N3O3" ;
dbo:inchi "InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2" ;
dbo:iupacName "1,3,5-tri(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione"@en ;
dbo:pubchem "13931"^^xsd:int ;
dbo:smiles "C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C" ;
dbp:inchikey "KOMNUTZXSVSERR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001920 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135Talicaurt" ;
skos:prefLabel "1,3,5-triallylisocyanuraat"@nl .
csc:BRWIZMBXBAOCCF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6583 ;
dbo:casNumber "79-19-6" ;
dbo:formula "CH5N3S" ;
dbo:inchi "InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)" ;
dbo:iupacName "aminothiourea"@en ;
dbo:pubchem "6583"^^xsd:int ;
dbo:smiles "C(=NN)(N)S" ;
dbp:inchikey "BRWIZMBXBAOCCF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001207 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tosmcbzde" ;
skos:prefLabel "thiosemicarbazide"@nl .
csc:QZYHIOPPLUPUJF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7422 ;
dbo:casNumber "99-08-1" ;
dbo:formula "C7H7NO2" ;
dbo:inchi "InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3" ;
dbo:iupacName "1-Methyl-3-nitrobenzene"@en ;
dbo:pubchem "7422"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)[N+](=O)[O-]" ;
dbp:inchikey "QZYHIOPPLUPUJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3NO2Tol" ;
skos:prefLabel "3-nitrotolueen"@nl .
csc:HEWDOWUUTBCVJP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10676 ;
dbo:casNumber "525-37-1" ;
dbo:formula "C10H8O6S2" ;
dbo:inchi "InChI=1S/C10H8O6S2/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)" ;
dbo:iupacName "NAPHTHALENE-1,6-DISULFONIC ACID"@en ;
dbo:pubchem "10676"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)S(=O)(=O)O" ;
dbp:inchikey "HEWDOWUUTBCVJP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "16NafDsfzr" ;
skos:prefLabel "1,6-naftaleendisulfonzuur"@nl .
csc:ZNSMNVMLTJELDZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8115 ;
dbo:casNumber "92091-28-6" , "111-44-4" ;
dbo:formula "C4H8Cl2O" ;
dbo:inchi "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" ;
dbo:iupacName "1-chloro-2-(2-chloroethoxy)ethane"@en ;
dbo:pubchem "8115"^^xsd:int ;
dbo:smiles "C(CCl)OCCCl" ;
dbp:inchikey "ZNSMNVMLTJELDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DClDC2yEtr" ;
skos:prefLabel "2,2-dichloordiethylether"@nl .
csc:GAFWRUXZGSUTHS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25741 ;
dbo:casNumber "13142-64-8" ;
dbo:formula "C8H9ClN2O" ;
dbo:inchi "InChI=1S/C8H9ClN2O/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)" ;
dbo:iupacName "(3-CHLORO-4-METHYLPHENYL)UREA"@en ;
dbo:pubchem "25741"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)NC(=O)N)Cl" ;
dbp:inchikey "GAFWRUXZGSUTHS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl4C1yFyura" ;
skos:prefLabel "(3-chloor-4-methylfenyl)urea"@nl .
csc:UGPWRRVOLLMHSC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74816 ;
dbo:casNumber "1999-85-5" ;
dbo:formula "C12H18O2" ;
dbo:inchi "InChI=1S/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3" ;
dbo:iupacName "2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol"@en ;
dbo:pubchem "74816"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC(=CC=C1)C(C)(C)O)O" ;
dbp:inchikey "UGPWRRVOLLMHSC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aaDHOxDiC3yB" ;
skos:prefLabel "alfa,alfa'-dihydroxy-1,3-diisopropylbenzeen"@nl .
csc:SGVYKUFIHHTIFL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13379 ;
dbo:casNumber "34464-38-5" , "68551-17-7" , "63335-88-6" , "68551-16-6" , "871-83-0" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3" ;
dbo:iupacName "2-Methylnonane"@en ;
dbo:pubchem "13379"^^xsd:int ;
dbo:smiles "CCCCCCCC(C)C" ;
dbp:inchikey "SGVYKUFIHHTIFL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC9a" ;
skos:prefLabel "2-methylnonaan"@nl .
csc:ZOKXTWBITQBERF-AKLPVKDBSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104976 ;
dbo:casNumber "14119-15-4" ;
dbo:formula "Mo" ;
dbo:inchi "InChI=1S/Mo/i1+3" ;
dbo:iupacName "molybdenum-99"@en ;
dbo:pubchem "104976"^^xsd:int ;
dbo:smiles "[Mo]" ;
dbp:inchikey "ZOKXTWBITQBERF-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mo99" ;
skos:prefLabel "molybdeen 99"@nl .
csc:RUVINXPYWBROJD-ONEGZZNKSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:637563 ;
dbo:casNumber "57131-42-7" , "109957-71-3" , "4180-23-8" , "8022-08-0" , "50770-19-9" , "104-46-1" , "12002-40-3" ;
dbo:formula "C10H12O" ;
dbo:inchi "InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+" ;
dbo:iupacName "['1-methoxy-4-[(E)-prop-1-enyl]benzene', '1-methoxy-4-prop-1-enylbenzene']"@en ;
dbo:pubchem "637563"^^xsd:int ;
dbo:smiles "CC=CC1=CC=C(C=C1)OC" ;
dbp:inchikey "RUVINXPYWBROJD-ONEGZZNKSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1ox41C3yeb" ;
skos:prefLabel "1-methoxy-4-(1-propenyl)benzeen"@nl .
csc:NNJVILVZKWQKPM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3676 ;
dbo:casNumber "8059-42-5" , "91484-71-8" , "137-58-6" , "8059-66-3" ;
dbo:formula "C14H22N2O" ;
dbo:inchi "InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)" ;
dbo:iupacName "2-diethylamino-N-(2,6-dimethylphenyl)acetamide"@en ;
dbo:pubchem "3676"^^xsd:int ;
dbo:smiles "CCN(CC)CC(=O)NC1=C(C=CC=C1C)C" ;
dbp:inchikey "NNJVILVZKWQKPM-UHFFFAOYSA-N" ;
skos:altLabel "lidocaine"@nl ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lidcine" ;
skos:prefLabel "lidoca\uFFFDne"@nl .
csc:HSZLKTCKAYXVBX-DCAGQSADSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6440708 ;
dbo:casNumber "1405-27-2" , "24916-52-7" , "33299-71-7" , "11001-07-3" , "13429-99-7" , "13441-33-3" , "1403-59-4" , "13445-44-8" , "23410-82-4" , "203005-19-0" ;
dbo:formula "C46H78N2O15" ;
dbo:inchi "InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28+,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1" ;
dbo:iupacName "[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate"@en ;
dbo:pubchem "6440708"^^xsd:int ;
dbo:smiles "CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C)C" ;
dbp:inchikey "HSZLKTCKAYXVBX-DCAGQSADSA-N" ;
skos:altLabel "spiramycine iii"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmcIII" ;
skos:prefLabel "spiramycine III"@nl .
csc:OEBRKCOSUFCWJD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3039 ;
dbo:casNumber "55819-32-4" , "116788-91-1" , "62139-95-1" , "8076-16-2" , "62655-59-8" , "12772-40-6" , "95828-55-0" , "11095-17-3" , "11126-72-0" , "8072-21-7" , "8023-22-1" , "62-73-7" , "11096-21-2" , "11111-31-2" , "8072-39-7" ;
dbo:formula "C4H7Cl2O4P" ;
dbo:inchi "InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" ;
dbo:iupacName "['2,2-Dichloroethenyl dimethyl phosphate', '2,2-dichloroethenoxy-hydroxy-dimethoxyphosphanium']"@en ;
dbo:pubchem "3039"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC=C(Cl)Cl" ;
dbp:inchikey "OEBRKCOSUFCWJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:exactMatch wise:CAS_62-73-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClvs" ;
skos:prefLabel "dichloorvos"@nl ;
vcs:vmmParameterId "391"^^xsd:int .
csc:DSAJWYNOEDNPEQ-AHCXROLUSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5491664 ;
dbo:casNumber "13981-41-4" ;
dbo:formula "Ba" ;
dbo:inchi "InChI=1S/Ba/i1-4" ;
dbo:iupacName "barium-133"@en ;
dbo:pubchem "5491664"^^xsd:int ;
dbo:smiles "[Ba]" ;
dbp:inchikey "DSAJWYNOEDNPEQ-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ba133" ;
skos:prefLabel "barium 133"@nl .
csc:SIKJAQJRHWYJAI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:798 ;
dbo:casNumber "120-72-9" ;
dbo:formula "C8H7N" ;
dbo:inchi "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" ;
dbo:iupacName "1H-Indole"@en ;
dbo:pubchem "798"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CN2" ;
dbp:inchikey "SIKJAQJRHWYJAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indl" ;
skos:prefLabel "indol"@nl .
csc:VYKLRWGPNUVKNC-AATRIKPKSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5371267 ;
dbo:casNumber "38274-01-0" ;
dbo:formula "C13H20O3" ;
dbo:inchi "InChI=1S/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,10,15H,7-8H2,1-4H3/b6-5+" ;
dbo:iupacName "(E)-4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one"@en ;
dbo:pubchem "5371267"^^xsd:int ;
dbo:smiles "CC(=O)C=CC12C(CC(CC1(O2)C)O)(C)C" ;
dbp:inchikey "VYKLRWGPNUVKNC-AATRIKPKSA-N" ;
skos:broader csc:CHEMONTID_0001729 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4HOx12DHbjnn" ;
skos:prefLabel "4-hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide"@nl .
csc:WSORODGWGUUOBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15415 ;
dbo:casNumber "1634-78-2" ;
dbo:formula "C10H19O7PS" ;
dbo:inchi "InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3" ;
dbo:iupacName "['(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxy-dimethoxyphosphanium', 'diethyl 2-dimethoxyphosphorylsulfanylbutanedioate']"@en ;
dbo:pubchem "15415"^^xsd:int ;
dbo:smiles "CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC" ;
dbp:inchikey "WSORODGWGUUOBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malOon" ;
skos:prefLabel "malaoxon"@nl .
csc:NYQDCVLCJXRDSK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16422 ;
dbo:casNumber "2104-96-3" , "12778-42-6" , "12778-41-5" ;
dbo:formula "C8H8BrCl2O3PS" ;
dbo:inchi "InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3" ;
dbo:iupacName "(4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "16422"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl" ;
dbp:inchikey "NYQDCVLCJXRDSK-UHFFFAOYSA-N" ;
skos:altLabel "bromofos-methyl"@nl , "methylbromofos"@nl ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_2104-96-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yBrfs" ;
skos:prefLabel "bromophos"@nl ;
vcs:vmmParameterId "685"^^xsd:int .
csc:LFHISGNCFUNFFM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6423 ;
dbo:casNumber "76-06-2" ;
dbo:formula "CCl3NO2" ;
dbo:inchi "InChI=1S/CCl3NO2/c2-1(3,4)5(6)7" ;
dbo:iupacName "trichloro-nitromethane"@en ;
dbo:pubchem "6423"^^xsd:int ;
dbo:smiles "C([N+](=O)[O-])(Cl)(Cl)Cl" ;
dbp:inchikey "LFHISGNCFUNFFM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpcne" ;
skos:prefLabel "chloorpicrine"@nl .
csc:ACTRVOBWPAIOHC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9354 ;
dbo:casNumber "304-55-2" , "2418-14-6" ;
dbo:formula "C4H6O4S2" ;
dbo:inchi "InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)" ;
dbo:iupacName "2,3-bis-sulfanylbutanedioic acid"@en ;
dbo:pubchem "9354"^^xsd:int ;
dbo:smiles "C(C(C(=O)O)S)(C(=O)O)S" ;
dbp:inchikey "ACTRVOBWPAIOHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001423 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "succmr" ;
skos:prefLabel "succimer"@nl .
csc:OIPMQULDKWSNGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6328269 ;
dbo:casNumber "39148-24-8" ;
dbo:formula "C6H15AlO9P3+3" ;
dbo:inchi "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" ;
dbo:iupacName "aluminum ethoxy-oxido-oxophosphanium"@en ;
dbo:pubchem "6328269"^^xsd:int ;
dbo:smiles "CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3]" ;
dbp:inchikey "OIPMQULDKWSNGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosC2yAl" ;
skos:prefLabel "fosetyl-aluminium"@nl .
csc:GYFAGKUZYNFMBN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9117 ;
dbo:casNumber "191-24-2" ;
dbo:formula "C22H12" ;
dbo:inchi "InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H" ;
dbo:iupacName "hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene"@en ;
dbo:pubchem "9117"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2" ;
dbp:inchikey "GYFAGKUZYNFMBN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "benzo(g,h,i)peryleen (b)"@nl , "benzo(ghi)peryleen"@nl , "benzo(g,h,i)peryleen"@nl ;
skos:broader csc:CHEMONTID_0000316 ;
skos:exactMatch wise:CAS_191-24-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BghiPe" ;
skos:prefLabel "benzo(g,h,i)pery-leen"@nl ;
vcs:vmmParameterId "1425"^^xsd:int , "423"^^xsd:int .
csc:BSWWXRFVMJHFBN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1483 ;
dbo:casNumber "118-79-6" ;
dbo:formula "C6H3Br3O" ;
dbo:inchi "InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" ;
dbo:iupacName "2,4,6-Tribromophenol"@en ;
dbo:pubchem "1483"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Br)O)Br)Br" ;
dbp:inchikey "BSWWXRFVMJHFBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002769 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TBrFol" ;
skos:prefLabel "2,4,6-tribroomfenol"@nl .
csc:OKIBNKKYNPBDRS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40896 ;
dbo:casNumber "53780-34-0" , "55584-91-3" , "55599-99-0" ;
dbo:formula "C11H13F3N2O3S" ;
dbo:inchi "InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)" ;
dbo:iupacName "N-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]acetamide"@en ;
dbo:pubchem "40896"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1NC(=O)C)NS(=O)(=O)C(F)(F)F)C" ;
dbp:inchikey "OKIBNKKYNPBDRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mefidde" ;
skos:prefLabel "mefluidide"@nl .
csc:ZPCCSZFPOXBNDL-RSMXASMKSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282173 ;
dbo:casNumber "23684-35-7" , "1405-26-1" , "23684-34-6" , "18810-02-1" , "1403-58-3" , "24916-51-6" ;
dbo:formula "C45H76N2O15" ;
dbo:inchi "InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27+,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1" ;
dbo:iupacName "[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate"@en ;
dbo:pubchem "5282173"^^xsd:int ;
dbo:smiles "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C" ;
dbp:inchikey "ZPCCSZFPOXBNDL-RSMXASMKSA-N" ;
skos:altLabel "spiramycine II"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmcII" ;
skos:prefLabel "spiramycine ii"@nl .
csc:DSKJPMWIHSOYEA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38884 ;
dbo:casNumber "58694-46-5" , "41483-43-6" ;
dbo:formula "C13H24N4O3S" ;
dbo:inchi "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" ;
dbo:iupacName "(5-butyl-2-ethylamino-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate"@en ;
dbo:pubchem "38884"^^xsd:int ;
dbo:smiles "CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C" ;
dbp:inchikey "DSKJPMWIHSOYEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001262 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "buprmt" ;
skos:prefLabel "bupirimaat"@nl .
csc:IDSKMUOSMAUASS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:33241 ;
dbo:casNumber "431-06-1" ;
dbo:formula "C2H2Cl2F2" ;
dbo:inchi "InChI=1S/C2H2Cl2F2/c3-1(5)2(4)6/h1-2H" ;
dbo:iupacName "1,2-Dichloro-1,2-difluoroethane"@en ;
dbo:pubchem "33241"^^xsd:int ;
dbo:smiles "C(C(F)Cl)(F)Cl" ;
dbp:inchikey "IDSKMUOSMAUASS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK132" ;
skos:prefLabel "1,2-dichloor-1,2-difluorethaan"@nl .
csc:CJAOGUFAAWZWNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7490 ;
dbo:casNumber "27215-51-6" , "100-22-1" ;
dbo:formula "C10H16N2" ;
dbo:inchi "InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3" ;
dbo:iupacName "N,N,N',N'-tetramethylbenzene-1,4-diamine"@en ;
dbo:pubchem "7490"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)N(C)C" ;
dbp:inchikey "CJAOGUFAAWZWNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TMPD" ;
skos:prefLabel "tetramethyl-1,4-benzeendiamine"@nl .
csc:UKHVLWKBNNSRRR-TYYBGVCCSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433396 ;
dbo:casNumber "60789-82-4" , "4080-31-3" , "103638-29-5" ;
dbo:formula "C9H16Cl2N4" ;
dbo:inchi "InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1+;" ;
dbo:iupacName "1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride"@en ;
dbo:pubchem "6433396"^^xsd:int ;
dbo:smiles "C1N2CN3CN1C[N+](C2)(C3)CC=CCl.[Cl-]" ;
dbp:inchikey "UKHVLWKBNNSRRR-TYYBGVCCSA-M" ;
skos:broader csc:CHEMONTID_0002798 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13Clal357Taz" ;
skos:prefLabel "1-(3-chloorallyl)-3,5,7-triaza-1-azoniaadamantaanchloride"@nl .
csc:ZMZDMBWJUHKJPS-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9322 ;
dbo:casNumber "37223-05-5" , "60168-45-8" , "1111-68-8" , "60773-55-9" , "71048-69-6" , "302-04-5" , "70874-95-2" , "81210-01-7" , "62476-95-3" , "69924-38-5" ;
dbo:formula "CNS-" ;
dbo:inchi "InChI=1S/CHNS/c2-1-3/h3H/p-1" ;
dbo:iupacName "thiocyanate"@en ;
dbo:pubchem "9322"^^xsd:int ;
dbo:smiles "C(#N)[S-]" ;
dbp:inchikey "ZMZDMBWJUHKJPS-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001201 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "thiocyanaten"@nl .
csc:BVUXDWXKPROUDO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20087 ;
dbo:casNumber "4130-92-1" , "4130-42-1" ;
dbo:formula "C16H26O" ;
dbo:inchi "InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3" ;
dbo:iupacName "2,6-ditert-butyl-4-ethylphenol"@en ;
dbo:pubchem "20087"^^xsd:int ;
dbo:smiles "CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C" ;
dbp:inchikey "BVUXDWXKPROUDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DttC4y4C2y" ;
skos:prefLabel "2,6-di-tert-butyl-4-ethylfenol"@nl .
csc:BNCADMBVWNPPIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62479 ;
dbo:casNumber "11098-24-1" , "66565-50-2" , "174805-33-5" , "3089-11-0" , "37331-82-1" ;
dbo:formula "C15H30N6O6" ;
dbo:inchi "InChI=1S/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3" ;
dbo:iupacName "N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine"@en ;
dbo:pubchem "62479"^^xsd:int ;
dbo:smiles "COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC" ;
dbp:inchikey "BNCADMBVWNPPIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxkC1oxC1yml" ;
skos:prefLabel "hexakis(methoxymethyl)melamine"@nl .
csc:GWESVXSMPKAFAS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12763 ;
dbo:casNumber "696-29-7" ;
dbo:formula "C9H18" ;
dbo:inchi "InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3" ;
dbo:iupacName "propan-2-ylcyclohexane"@en ;
dbo:pubchem "12763"^^xsd:int ;
dbo:smiles "CC(C)C1CCCCC1" ;
dbp:inchikey "GWESVXSMPKAFAS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yccC6a" ;
skos:prefLabel "isopropylcyclohexaan"@nl .
csc:UFWIBTONFRDIAS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:931 ;
dbo:casNumber "72931-45-4" , "68412-25-9" , "91-20-3" ;
dbo:formula "C10H8" ;
dbo:inchi "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" ;
dbo:iupacName "NAPHTHALENE"@en ;
dbo:pubchem "931"^^xsd:int ;
dbo:smiles "C1=CC=C2C=CC=CC2=C1" ;
dbp:inchikey "UFWIBTONFRDIAS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "naftaleen"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_91-20-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf" ;
skos:prefLabel "naftaleen "@nl ;
vcs:vmmParameterId "432"^^xsd:int , "1433"^^xsd:int .
csc:IMNFDUFMRHMDMM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:8900 ;
dbo:casNumber "8031-33-2" , "142-82-5" , "44607-13-8" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" ;
dbo:iupacName "HEPTANE"@en ;
dbo:pubchem "8900"^^xsd:int ;
dbo:smiles "CCCCCCC" ;
dbp:inchikey "IMNFDUFMRHMDMM-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_006 , co:WAC_IV_A_016 ;
skos:altLabel "n-heptaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C7a" ;
skos:prefLabel "heptaan"@nl .
csc:NIHNNTQXNPWCJQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6853 ;
dbo:casNumber "86-73-7" , "84987-80-4" , "2299-68-5" ;
dbo:formula "C13H10" ;
dbo:inchi "InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2" ;
dbo:iupacName "9H-Fluorene"@en ;
dbo:pubchem "6853"^^xsd:int ;
dbo:smiles "C1C2=CC=CC=C2C3=CC=CC=C31" ;
dbp:inchikey "NIHNNTQXNPWCJQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0000020 ;
skos:exactMatch wise:CAS_86-73-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fle" ;
skos:prefLabel "fluoreen"@nl ;
vcs:vmmParameterId "430"^^xsd:int , "1431"^^xsd:int .
csc:FVFVNNKYKYZTJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18831 ;
dbo:casNumber "3397-62-4" ;
dbo:formula "C3H4ClN5" ;
dbo:inchi "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" ;
dbo:iupacName "6-Chloro-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "18831"^^xsd:int ;
dbo:smiles "C1(=NC(=NC(=N1)Cl)N)N" ;
dbp:inchikey "FVFVNNKYKYZTJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004721 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl46Daotazn" ;
skos:prefLabel "2-chloor-4,6-diamino-1,3,5-triazine"@nl .
csc:FYZBOYWSHKHDMT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:54886 ;
dbo:casNumber "88650-68-4" , "82560-54-1" ;
dbo:formula "C20H30N2O5S" ;
dbo:inchi "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" ;
dbo:iupacName "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate"@en ;
dbo:pubchem "54886"^^xsd:int ;
dbo:smiles "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" ;
dbp:inchikey "FYZBOYWSHKHDMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benfrcb" ;
skos:prefLabel "benfuracarb"@nl .
csc:HJIUPFPIEBPYIE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10813 ;
dbo:casNumber "535-89-7" ;
dbo:formula "C7H10ClN3" ;
dbo:inchi "InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3" ;
dbo:iupacName "2-chloro-N,N,6-trimethylpyrimidin-4-amine"@en ;
dbo:pubchem "10813"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)Cl)N(C)C" ;
dbp:inchikey "HJIUPFPIEBPYIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "crimdne" ;
skos:prefLabel "crimidine"@nl .
csc:VILCJCGEZXAXTO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5565 ;
dbo:casNumber "110670-33-2" , "71124-11-3" , "14175-14-5" , "112-24-3" , "105093-20-7" , "39421-77-7" ;
dbo:formula "C6H18N4" ;
dbo:inchi "InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2" ;
dbo:iupacName "N,N'-bis(2-aminoethyl)ethane-1,2-diamine"@en ;
dbo:pubchem "5565"^^xsd:int ;
dbo:smiles "C(CNCCNCCN)N" ;
dbp:inchikey "VILCJCGEZXAXTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yeT4Ae" ;
skos:prefLabel "triethyleentetramine"@nl .
csc:FLKPEMZONWLCSK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6781 ;
dbo:casNumber "84-66-2" , "68988-18-1" ;
dbo:formula "C12H14O4" ;
dbo:inchi "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "diethyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6781"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CC=CC=C1C(=O)OCC" ;
dbp:inchikey "FLKPEMZONWLCSK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_84-66-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yFt" ;
skos:prefLabel "diethylftalaat"@nl ;
vcs:vmmParameterId "63"^^xsd:int .
csc:SODPIMGUZLOIPE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26229 ;
dbo:casNumber "122-88-3" ;
dbo:formula "C8H7ClO3" ;
dbo:inchi "InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)" ;
dbo:iupacName "2-(4-chlorophenoxy)acetic acid"@en ;
dbo:pubchem "26229"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1OCC(=O)O)Cl" ;
dbp:inchikey "SODPIMGUZLOIPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004525 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4CPA" ;
skos:prefLabel "4-chloorfenoxyazijnzuur"@nl .
csc:RIOQSEWOXXDEQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11776 ;
dbo:casNumber "112771-47-8" , "603-35-0" ;
dbo:formula "C18H15P" ;
dbo:inchi "InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ;
dbo:iupacName "tri(phenyl)phosphane"@en ;
dbo:pubchem "11776"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "RIOQSEWOXXDEQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001814 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfyffne" ;
skos:prefLabel "trifenylfosfine"@nl .
csc:HERSSAVMHCMYSQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16 ;
dbo:casNumber "56403-09-9" ;
dbo:formula "C12H22N2O2" ;
dbo:inchi "InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)" ;
dbo:iupacName "1,8-Diazacyclotetradecane-2,9-dione"@en ;
dbo:pubchem "16"^^xsd:int ;
dbo:smiles "C1CCC(=O)NCCCCCC(=O)NCC1" ;
dbp:inchikey "HERSSAVMHCMYSQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000064 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "18DazccC14a2" ;
skos:prefLabel "1,8-diazacyclotetradecaan-2,9-dion"@nl .
csc:ULDHMXUKGWMISQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7439 ;
dbo:casNumber "99-49-0" , "22327-39-5" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3" ;
dbo:iupacName "2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one"@en ;
dbo:pubchem "7439"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1=O)C(=C)C" ;
dbp:inchikey "ULDHMXUKGWMISQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carvn" ;
skos:prefLabel "carvon"@nl .
csc:NZMAJUHVSZBJHL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12975 ;
dbo:casNumber "761-65-9" ;
dbo:formula "C9H19NO" ;
dbo:inchi "InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3" ;
dbo:iupacName "N,N-DIBUTYLFORMAMIDE"@en ;
dbo:pubchem "12975"^^xsd:int ;
dbo:smiles "CCCCN(CCCC)C=O" ;
dbp:inchikey "NZMAJUHVSZBJHL-UHFFFAOYSA-N" ;
skos:altLabel "N,N-dibutylformamide"@nl ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC4yfAd" ;
skos:prefLabel "n,n-dibutylformamide"@nl .
csc:AWBIJARKDOFDAN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:32803 ;
dbo:casNumber "1331-15-3" , "25136-55-4" , "15176-21-3" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "2,5-dimethyl-1,4-dioxane"@en ;
dbo:pubchem "32803"^^xsd:int ;
dbo:smiles "CC1COC(CO1)C" ;
dbp:inchikey "AWBIJARKDOFDAN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001313 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1y14DOxa" ;
skos:prefLabel "2,5-dimethyl-1,4-dioxaan"@nl .
csc:OPXLLQIJSORQAM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4030 ;
dbo:casNumber "31431-39-7" ;
dbo:formula "C16H13N3O3" ;
dbo:inchi "InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)" ;
dbo:iupacName "methyl N-[6-(benzoyl)-1H-benzimidazol-2-yl]carbamate"@en ;
dbo:pubchem "4030"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3" ;
dbp:inchikey "OPXLLQIJSORQAM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mebdzl" ;
skos:prefLabel "mebendazol"@nl .
csc:RECCURWJDVZHIH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8796 ;
dbo:casNumber "1967-26-6" , "140-38-5" ;
dbo:formula "C7H7ClN2O" ;
dbo:inchi "InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" ;
dbo:iupacName "(4-CHLOROPHENYL)UREA"@en ;
dbo:pubchem "8796"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1NC(=O)N)Cl" ;
dbp:inchikey "RECCURWJDVZHIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14ClFyurum" ;
skos:prefLabel "1-(4-chloorfenyl)ureum"@nl .
csc:UPVZPMJSRSWJHQ-HTXSYXIBSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:87529 ;
dbo:casNumber "18252-44-3" ;
dbo:formula "C15H24" ;
dbo:inchi "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14+,15+/m0/s1" ;
dbo:iupacName "(1R,2S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane"@en ;
dbo:pubchem "87529"^^xsd:int ;
dbo:smiles "CC(C)C1CCC2(C3C1C2C(=C)CC3)C" ;
dbp:inchikey "UPVZPMJSRSWJHQ-HTXSYXIBSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bcpene" ;
skos:prefLabel "beta-copaene"@nl .
csc:HWHLPVGTWGOCJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5572 ;
dbo:casNumber "144-11-6" ;
dbo:formula "C20H31NO" ;
dbo:inchi "InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2" ;
dbo:iupacName "1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol"@en ;
dbo:pubchem "5572"^^xsd:int ;
dbo:smiles "C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O" ;
dbp:inchikey "HWHLPVGTWGOCJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Thxfidl" ;
skos:prefLabel "trihexyfenidyl"@nl .
csc:OGPBJKLSAFTDLK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23981 ;
dbo:casNumber "110123-53-0" , "7440-53-1" ;
dbo:formula "Eu" ;
dbo:inchi "InChI=1S/Eu" ;
dbo:iupacName "EUROPIUM"@en ;
dbo:pubchem "23981"^^xsd:int ;
dbo:smiles "[Eu]" ;
dbp:inchikey "OGPBJKLSAFTDLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Eu" ;
skos:prefLabel "europium"@nl .
csc:CBCKQZAAMUWICA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7814 ;
dbo:casNumber "106-50-3" , "56481-76-6" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2" ;
dbo:iupacName "benzene-1,4-diamine"@en ;
dbo:pubchem "7814"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)N" ;
dbp:inchikey "CBCKQZAAMUWICA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DAoBen" ;
skos:prefLabel "1,4-diaminobenzeen"@nl .
csc:QBYJBZPUGVGKQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2087 ;
dbo:casNumber "309-00-2" ;
dbo:formula "C12H8Cl6" ;
dbo:inchi "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2" ;
dbo:iupacName "1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene"@en ;
dbo:pubchem "2087"^^xsd:int ;
dbo:smiles "C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "QBYJBZPUGVGKQQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_B_010 ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_309-00-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aldn" ;
skos:prefLabel "aldrin"@nl ;
vcs:vmmParameterId "232"^^xsd:int .
csc:ATQUFXWBVZUTKO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12746 ;
dbo:casNumber "27476-50-2" , "693-89-0" ;
dbo:formula "C6H10" ;
dbo:inchi "InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3" ;
dbo:iupacName "1-Methylcyclopentene"@en ;
dbo:pubchem "12746"^^xsd:int ;
dbo:smiles "CC1=CCCC1" ;
dbp:inchikey "ATQUFXWBVZUTKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yccC5e" ;
skos:prefLabel "methylcyclopenteen"@nl .
csc:ZWPVHELAQPIZHO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38876 ;
dbo:casNumber "110866-20-1" , "41464-40-8" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H" ;
dbo:iupacName "2,4-dichloro-1-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "38876"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2)Cl)Cl" ;
dbp:inchikey "ZWPVHELAQPIZHO-UHFFFAOYSA-N" ;
skos:altLabel "2,2',4,5'-tetrachloorbifenyl"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB49" ;
skos:prefLabel "2,2',4,5'-tetrachloorbifenyl (pcb49)"@nl .
csc:XWTYSIMOBUGWOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5403 ;
dbo:casNumber "46719-29-3" , "23031-25-6" ;
dbo:formula "C12H19NO3" ;
dbo:inchi "InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3" ;
dbo:iupacName "5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol"@en ;
dbo:pubchem "5403"^^xsd:int ;
dbo:smiles "CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O" ;
dbp:inchikey "XWTYSIMOBUGWOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000137 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbtlne" ;
skos:prefLabel "terbutaline"@nl .
csc:LSDPWZHWYPCBBB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:878 ;
dbo:casNumber "17719-48-1" , "74-93-1" , "63933-47-1" ;
dbo:formula "CH4S" ;
dbo:inchi "InChI=1S/CH4S/c1-2/h2H,1H3" ;
dbo:iupacName "METHANETHIOL"@en ;
dbo:pubchem "878"^^xsd:int ;
dbo:smiles "CS" ;
dbp:inchikey "LSDPWZHWYPCBBB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1atol" ;
skos:prefLabel "methaanthiol"@nl .
csc:OGYFATSSENRIKG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91692 ;
dbo:casNumber "66063-05-6" ;
dbo:formula "C19H21ClN2O" ;
dbo:inchi "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" ;
dbo:iupacName "1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea"@en ;
dbo:pubchem "91692"^^xsd:int ;
dbo:smiles "C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3" ;
dbp:inchikey "OGYFATSSENRIKG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "penccrn" ;
skos:prefLabel "pencycuron"@nl .
csc:RQEUFEKYXDPUSK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7408 ;
dbo:casNumber "618-36-0" , "98-84-0" , "3886-69-9" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3" ;
dbo:iupacName "1-Phenylethanamine"@en ;
dbo:pubchem "7408"^^xsd:int ;
dbo:smiles "CC(C1=CC=CC=C1)N" ;
dbp:inchikey "RQEUFEKYXDPUSK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1FyC2yAe" ;
skos:prefLabel "a-fenylethylamine"@nl .
csc:PCIUEQPBYFRTEM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9555 ;
dbo:casNumber "335-76-2" ;
dbo:formula "C10HF19O2" ;
dbo:inchi "InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid"@en ;
dbo:pubchem "9555"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "PCIUEQPBYFRTEM-UHFFFAOYSA-N" ;
skos:altLabel "perfluordecaanzuur (pfda)"@nl , "perfluordecaanzuur"@nl , "perfluor-n-decaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFDA" ;
skos:prefLabel "perfluor-n-decaanzuur (pfda)"@nl .
csc:HKIOYBQGHSTUDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8607 ;
dbo:casNumber "52306-33-9" , "133-07-3" ;
dbo:formula "C9H4Cl3NO2S" ;
dbo:inchi "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" ;
dbo:iupacName "2-(trichloromethylsulfanyl)isoindole-1,3-dione"@en ;
dbo:pubchem "8607"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" ;
dbp:inchikey "HKIOYBQGHSTUDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "folpt" ;
skos:prefLabel "folpet"@nl .
csc:QZCLKYGREBVARF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6505 ;
dbo:casNumber "37070-91-0" , "77-90-7" ;
dbo:formula "C20H34O8" ;
dbo:inchi "InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3" ;
dbo:iupacName "1,2,3-tributyl 2-acetyloxypropane-1,2,3-tricarboxylate"@en ;
dbo:pubchem "6505"^^xsd:int ;
dbo:smiles "CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C" ;
dbp:inchikey "QZCLKYGREBVARF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002966 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4yactcitt" ;
skos:prefLabel "tributylacetylcitraat"@nl .
csc:RPUMZMSNLZHIGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37035 ;
dbo:casNumber "35065-28-2" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "37035"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "RPUMZMSNLZHIGZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb 138"@nl , "pcb-138"@nl , "2,2',3,4,4',5'-hexachloorbifenyl (pcb138)"@nl , "PCB-138"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-28-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB138" ;
skos:prefLabel "2,2',3,4,4',5'-hexachloorbifenyl"@nl ;
vcs:vmmParameterId "1414"^^xsd:int , "436"^^xsd:int .
csc:YLQLIQIAXYRMDL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24847 ;
dbo:casNumber "10042-59-8" ;
dbo:formula "C10H22O" ;
dbo:inchi "InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3" ;
dbo:iupacName "2-Propylheptan-1-ol"@en ;
dbo:pubchem "24847"^^xsd:int ;
dbo:smiles "CCCCCC(CCC)CO" ;
dbp:inchikey "YLQLIQIAXYRMDL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3y1C7ol" ;
skos:prefLabel "2-propyl-1-heptanol"@nl .
csc:WRMNZCZEMHIOCP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6054 ;
dbo:casNumber "60-12-8" , "1321-27-3" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" ;
dbo:iupacName "2-PHENYLETHANOL"@en ;
dbo:pubchem "6054"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCO" ;
dbp:inchikey "WRMNZCZEMHIOCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Fy2C2ol" ;
skos:prefLabel "1-fenyl-2-ethanol"@nl .
csc:VZGDMQKNWNREIO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl , "VLAR III (D3) "@nl ;
rdfs:seeAlso compound:5943 ;
dbo:casNumber "56-23-5" ;
dbo:formula "CCl4" ;
dbo:inchi "InChI=1S/CCl4/c2-1(3,4)5" ;
dbo:iupacName "Tetrachloromethane"@en ;
dbo:pubchem "5943"^^xsd:int ;
dbo:smiles "C(Cl)(Cl)(Cl)Cl" ;
dbp:inchikey "VZGDMQKNWNREIO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_002 , co:LUC_IV_000 ;
skos:altLabel "tetrachloormethaan (tetra)"@nl , "tetrachloormethaan"@nl ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_56-23-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4ClC1a" ;
skos:prefLabel "koolstoftetrachloride"@nl ;
vcs:vmmParameterId "383"^^xsd:int .
csc:AFBPFSWMIHJQDM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7515 ;
dbo:casNumber "100-61-8" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" ;
dbo:iupacName "N-Methylaniline"@en ;
dbo:pubchem "7515"^^xsd:int ;
dbo:smiles "CNC1=CC=CC=C1" ;
dbp:inchikey "AFBPFSWMIHJQDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yAn" ;
skos:prefLabel "methylaniline"@nl .
csc:DIKBFYAXUHHXCS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5558 ;
dbo:casNumber "75-25-2" , "4471-18-5" ;
dbo:formula "CHBr3" ;
dbo:inchi "InChI=1S/CHBr3/c2-1(3)4/h1H" ;
dbo:iupacName "Bromoform"@en ;
dbo:pubchem "5558"^^xsd:int ;
dbo:smiles "C(Br)(Br)Br" ;
dbp:inchikey "DIKBFYAXUHHXCS-UHFFFAOYSA-N" ;
skos:altLabel "bromoform"@nl ;
skos:broader csc:CHEMONTID_0004160 ;
skos:exactMatch wise:CAS_75-25-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TBrC1a" ;
skos:prefLabel "tribroommethaan"@nl ;
vcs:vmmParameterId "384"^^xsd:int .
csc:NWWZPOKUUAIXIW-DHZHZOJOSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5821911 ;
dbo:casNumber "153719-23-4" ;
dbo:formula "C8H10ClN5O3S" ;
dbo:inchi "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" ;
dbo:iupacName "['(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide', 'N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide']"@en ;
dbo:pubchem "5821911"^^xsd:int ;
dbo:smiles "CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)Cl" ;
dbp:inchikey "NWWZPOKUUAIXIW-DHZHZOJOSA-N" ;
skos:broader csc:CHEMONTID_0002635 ;
skos:exactMatch wise:CAS_153719-23-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thiamtxm" ;
skos:prefLabel "thiamethoxam"@nl ;
vcs:vmmParameterId "1439"^^xsd:int .
csc:GVGLGOZIDCSQPN-PVHGPHFFSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5462328 ;
dbo:casNumber "2078-90-2" , "561-27-3" ;
dbo:formula "C21H23NO5" ;
dbo:inchi "InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1" ;
dbo:iupacName "[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate"@en ;
dbo:pubchem "5462328"^^xsd:int ;
dbo:smiles "CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C" ;
dbp:inchikey "GVGLGOZIDCSQPN-PVHGPHFFSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dactmfne" ;
skos:prefLabel "diacetylmorfine"@nl .
csc:ABOVRDBEJDIBMZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67788 ;
dbo:casNumber "370-50-3" ;
dbo:formula "C15H8Cl2F6N2O" ;
dbo:inchi "InChI=1S/C15H8Cl2F6N2O/c16-11-3-1-7(5-9(11)14(18,19)20)24-13(26)25-8-2-4-12(17)10(6-8)15(21,22)23/h1-6H,(H2,24,25,26)" ;
dbo:iupacName "1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]urea"@en ;
dbo:pubchem "67788"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(F)(F)F)Cl" ;
dbp:inchikey "ABOVRDBEJDIBMZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flucfrn" ;
skos:prefLabel "flucofuron"@nl .
csc:MRUDNSFOFOQZDA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5758 ;
dbo:casNumber "50-30-6" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)" ;
dbo:iupacName "2,6-Dichlorobenzoic acid"@en ;
dbo:pubchem "5758"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=O)O)Cl" ;
dbp:inchikey "MRUDNSFOFOQZDA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClbenzzr" ;
skos:prefLabel "2,6-dichloorbenzoezuur"@nl .
csc:UURAUHCOJAIIRQ-QGLSALSOSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:656958 ;
dbo:casNumber "55297-95-5" ;
dbo:formula "C28H47NO4S" ;
dbo:inchi "InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1" ;
dbo:iupacName "[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate"@en ;
dbo:pubchem "656958"^^xsd:int ;
dbo:smiles "CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C" ;
dbp:inchikey "UURAUHCOJAIIRQ-QGLSALSOSA-N" ;
skos:altLabel "thiamuline"@nl ;
skos:broader csc:CHEMONTID_0002003 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tiamlne" ;
skos:prefLabel "tiamuline"@nl .
csc:CRCBRZBVCDKPGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40469 ;
dbo:casNumber "52663-61-3" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-10(15)8(3-6)9-4-7(14)5-11(16)12(9)17/h1-5H" ;
dbo:iupacName "1,2,5-trichloro-3-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "40469"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "CRCBRZBVCDKPGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB92" ;
skos:prefLabel "2,2',3,5,5'-pentachloorbifenyl"@nl .
csc:MDNWOSOZYLHTCG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3037 ;
dbo:casNumber "1322-43-6" , "8017-86-5" , "97-23-4" ;
dbo:formula "C13H10Cl2O2" ;
dbo:inchi "InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2" ;
dbo:iupacName "4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol"@en ;
dbo:pubchem "3037"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O" ;
dbp:inchikey "MDNWOSOZYLHTCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClfn" ;
skos:prefLabel "dichloorfeen"@nl .
csc:QUMDOMSJJIFTCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66222 ;
dbo:casNumber "78-74-0" ;
dbo:formula "C2H3Br3" ;
dbo:inchi "InChI=1S/C2H3Br3/c3-1-2(4)5/h2H,1H2" ;
dbo:iupacName "1,1,2-Tribromoethane"@en ;
dbo:pubchem "66222"^^xsd:int ;
dbo:smiles "C(C(Br)Br)Br" ;
dbp:inchikey "QUMDOMSJJIFTCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001515 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "112TBrC2a" ;
skos:prefLabel "1,1,2-tribroomethaan"@nl .
csc:MYWUZJCMWCOHBA-VIFPVBQESA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10836 ;
dbo:casNumber "45952-89-4" , "1690-86-4" , "14611-50-8" , "537-46-2" , "139-47-9" ;
dbo:formula "C10H15N" ;
dbo:inchi "InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1" ;
dbo:iupacName "(2S)-N-methyl-1-phenylpropan-2-amine"@en ;
dbo:pubchem "10836"^^xsd:int ;
dbo:smiles "CC(CC1=CC=CC=C1)NC" ;
dbp:inchikey "MYWUZJCMWCOHBA-VIFPVBQESA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "methafAe" ;
skos:prefLabel "methamfetamine"@nl .
csc:KJPRLNWUNMBNBZ-QPJJXVBHSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:637511 ;
dbo:casNumber "14371-10-9" , "104-55-2" ;
dbo:formula "C9H8O" ;
dbo:inchi "InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+" ;
dbo:iupacName "['(E)-3-phenylprop-2-enal', '3-phenylprop-2-enal']"@en ;
dbo:pubchem "637511"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C=CC=O" ;
dbp:inchikey "KJPRLNWUNMBNBZ-QPJJXVBHSA-N" ;
skos:broader csc:CHEMONTID_0000029 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cinnAh" ;
skos:prefLabel "cinnamaldehyde"@nl .
csc:FEWPCPCEGBPTAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:95827 ;
dbo:casNumber "6339-19-1" ;
dbo:formula "C4H4ClN3O" ;
dbo:inchi "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" ;
dbo:iupacName "5-amino-4-chloro-2H-pyridazin-3-one"@en ;
dbo:pubchem "95827"^^xsd:int ;
dbo:smiles "C1=NNC(=O)C(=C1N)Cl" ;
dbp:inchikey "FEWPCPCEGBPTAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001924 ;
skos:exactMatch wise:CAS_6339-19-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desFyClidzn" ;
skos:prefLabel "desfenylchloridazon"@nl ;
vcs:vmmParameterId "1534"^^xsd:int .
csc:HPFDGTFXAVIVTH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:30111 ;
dbo:casNumber "109201-64-1" , "20324-33-8" , "1335-22-4" ;
dbo:formula "C10H22O4" ;
dbo:inchi "InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3" ;
dbo:iupacName "1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol"@en ;
dbo:pubchem "30111"^^xsd:int ;
dbo:smiles "CC(COC(C)COC(C)COC)O" ;
dbp:inchikey "HPFDGTFXAVIVTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC3yegcC1yEt" ;
skos:prefLabel "tripropyleenglycolmonomethylether"@nl .
csc:IZEZAMILKKYOPW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:75893 ;
dbo:casNumber "2683-43-4" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2" ;
dbo:iupacName "2,4-Dichloro-6-nitroaniline"@en ;
dbo:pubchem "75893"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)Cl" ;
dbp:inchikey "IZEZAMILKKYOPW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DCl6NO2An" ;
skos:prefLabel "2,4-dichloor-6-nitroaniline"@nl .
csc:NVHBFHMWJJMQTG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:20655 ;
dbo:casNumber "4536-87-2" ;
dbo:formula "C17H28" ;
dbo:inchi "InChI=1S/C17H28/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3" ;
dbo:iupacName "undecan-3-ylbenzene"@en ;
dbo:pubchem "20655"^^xsd:int ;
dbo:smiles "CCCCCCCCC(CC)C1=CC=CC=C1" ;
dbp:inchikey "NVHBFHMWJJMQTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2yC9yBen" ;
skos:prefLabel "(1-ethylnonyl)-benzeen"@nl .
csc:IEDKVDCIEARIIU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:69423 ;
dbo:casNumber "629-66-3" ;
dbo:formula "C19H38O" ;
dbo:inchi "InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3" ;
dbo:iupacName "Nonadecan-2-one"@en ;
dbo:pubchem "69423"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)C" ;
dbp:inchikey "IEDKVDCIEARIIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C19on" ;
skos:prefLabel "2-nonadecanon"@nl .
csc:MIABSAQIFYEDJP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10143739 ;
dbo:casNumber "57678-03-2" ;
dbo:formula "C10H6F17O4P" ;
dbo:inchi "InChI=1S/C10H6F17O4P/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30)" ;
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl dihydrogen phosphate"@en ;
dbo:pubchem "10143739"^^xsd:int ;
dbo:smiles "C(COP(=O)(O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "MIABSAQIFYEDJP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003458 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "8:2 PAP" ;
skos:prefLabel "8:2 fluortelomeerfosfaat monoester"@nl .
csc:PZTAFRMXSAAHMQ-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:36637 ;
dbo:casNumber "33954-26-6" , "28179-44-4" ;
dbo:formula "C12H10I3N2NaO5" ;
dbo:inchi "InChI=1S/C12H11I3N2O5.Na/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);/q;+1/p-1" ;
dbo:iupacName "sodium 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoate"@en ;
dbo:pubchem "36637"^^xsd:int ;
dbo:smiles "CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NCCO)I.[Na+]" ;
dbp:inchikey "PZTAFRMXSAAHMQ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "joxtlmnzr" ;
skos:prefLabel "joxitalaminezuur"@nl .
csc:ATJFFYVFTNAWJD-VENIDDJXSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335514 ;
dbo:casNumber "13966-06-8" ;
dbo:formula "Sn" ;
dbo:inchi "InChI=1S/Sn/i1-6" ;
dbo:iupacName "tin-113"@en ;
dbo:pubchem "6335514"^^xsd:int ;
dbo:smiles "[Sn]" ;
dbp:inchikey "ATJFFYVFTNAWJD-VENIDDJXSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sn113" ;
skos:prefLabel "tin 113"@nl .
csc:SZHOJFHSIKHZHA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12530 ;
dbo:casNumber "638-53-9" , "68002-90-4" ;
dbo:formula "C13H26O2" ;
dbo:inchi "InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)" ;
dbo:iupacName "Tridecanoic acid"@en ;
dbo:pubchem "12530"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "SZHOJFHSIKHZHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C13azr" ;
skos:prefLabel "tridecaanzuur"@nl .
csc:NBIIXXVUZAFLBC-UHFFFAOYSA-K
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1061 ;
dbo:casNumber "264888-19-9" , "14265-44-2" , "68891-72-5" ;
dbo:formula "O4P-3" ;
dbo:inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3" ;
dbo:iupacName "phosphate"@en ;
dbo:pubchem "1061"^^xsd:int ;
dbo:smiles "[O-]P(=O)([O-])[O-]" ;
dbp:inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-K" ;
dct:isReferencedBy co:WAC_III_C_010 ;
skos:altLabel "fosfaat"@nl ;
skos:broader csc:CHEMONTID_0001073 ;
skos:exactMatch wise:CAS_14265-44-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PO4" ;
skos:prefLabel "orthofosfaat"@nl ;
vcs:vmmParameterId "12"^^xsd:int , "852"^^xsd:int , "11"^^xsd:int .
csc:WQOXQRCZOLPYPM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12232 ;
dbo:casNumber "624-92-0" , "68920-64-9" ;
dbo:formula "C2H6S2" ;
dbo:inchi "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" ;
dbo:iupacName "Methyldisulfanylmethane"@en ;
dbo:pubchem "12232"^^xsd:int ;
dbo:smiles "CSSC" ;
dbp:inchikey "WQOXQRCZOLPYPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDS" ;
skos:prefLabel "dimethyldisulfide"@nl .
csc:DKYWVDODHFEZIM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3825 ;
dbo:casNumber "22161-86-0" , "172964-50-0" , "22071-15-4" ;
dbo:formula "C16H14O3" ;
dbo:inchi "InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)" ;
dbo:iupacName "2-[3-(benzoyl)phenyl]propanoic acid"@en ;
dbo:pubchem "3825"^^xsd:int ;
dbo:smiles "CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O" ;
dbp:inchikey "DKYWVDODHFEZIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ketpfn" ;
skos:prefLabel "ketoprofen"@nl .
csc:GBKZRUCVLTWAML-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12466 ;
dbo:casNumber "634-83-3" ;
dbo:formula "C6H3Cl4N" ;
dbo:inchi "InChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2" ;
dbo:iupacName "2,3,4,5-TETRACHLOROANILINE"@en ;
dbo:pubchem "12466"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N" ;
dbp:inchikey "GBKZRUCVLTWAML-UHFFFAOYSA-N" ;
skos:altLabel "2,3,4,5-tetrachlooraniline"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2345T4ClAn" ;
skos:prefLabel "2,3,4,5 tetrachlooraniline"@nl .
csc:XXYMSQQCBUKFHE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13271 ;
dbo:casNumber "836-30-6" ;
dbo:formula "C12H10N2O2" ;
dbo:inchi "InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H" ;
dbo:iupacName "4-Nitro-N-phenylaniline"@en ;
dbo:pubchem "13271"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-]" ;
dbp:inchikey "XXYMSQQCBUKFHE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2DFyAe" ;
skos:prefLabel "4-nitrodifenylamine"@nl .
csc:KHCZSJXTDDHLGJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10693 ;
dbo:casNumber "527-20-8" ;
dbo:formula "C6H2Cl5N" ;
dbo:inchi "InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2" ;
dbo:iupacName "2,3,4,5,6-Pentachloroaniline"@en ;
dbo:pubchem "10693"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N" ;
dbp:inchikey "KHCZSJXTDDHLGJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClAn" ;
skos:prefLabel "pentachlooraniline"@nl .
csc:HIILBTHBHCLUER-IWQZZHSRSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5370144 ;
dbo:casNumber "13116-57-9" , "96-19-5" ;
dbo:formula "C3H3Cl3" ;
dbo:inchi "InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1-" ;
dbo:iupacName "['(Z)-1,2,3-trichloroprop-1-ene', '1,2,3-trichloroprop-1-ene']"@en ;
dbo:pubchem "5370144"^^xsd:int ;
dbo:smiles "C(C(=CCl)Cl)Cl" ;
dbp:inchikey "HIILBTHBHCLUER-IWQZZHSRSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TClC3e" ;
skos:prefLabel "1,2,3-trichloorpropeen"@nl .
csc:JDZUWXRNKHXZFE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91721 ;
dbo:casNumber "74472-52-9" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-4(14)6(5(15)2-3)7-8(16)10(18)12(20)11(19)9(7)17/h1-2H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,4,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "91721"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "JDZUWXRNKHXZFE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB204" ;
skos:prefLabel "2,2',3,4,4',5,6,6'-octachloorbifenyl"@nl .
csc:VGTPCRGMBIAPIM-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10905 ;
dbo:casNumber "13249-87-1" , "104345-12-2" , "540-72-7" ;
dbo:formula "CNNaS" ;
dbo:inchi "InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1" ;
dbo:iupacName "['SODIUM THIOCYANATE', 'Sodium isothiocyanate']"@en ;
dbo:pubchem "10905"^^xsd:int ;
dbo:smiles "C(#N)[S-].[Na+]" ;
dbp:inchikey "VGTPCRGMBIAPIM-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NatoCN" ;
skos:prefLabel "natriumthiocyanaat"@nl .
csc:IAYPIBMASNFSPL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl , "VLAR III (D3) 'ethyleenoxide'"@nl ;
rdfs:seeAlso compound:6354 ;
dbo:casNumber "184288-32-2" , "99932-75-9" , "19034-08-3" , "9072-62-2" , "75-21-8" , "37341-05-2" ;
dbo:formula "C2H4O" ;
dbo:inchi "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" ;
dbo:iupacName "['Oxirane', '1-oxacycloprop-2-yne']"@en ;
dbo:pubchem "6354"^^xsd:int ;
dbo:smiles "C1CO1" ;
dbp:inchikey "IAYPIBMASNFSPL-UHFFFAOYSA-N" ;
skos:altLabel "ethyleenoxide "@nl ;
skos:broader csc:CHEMONTID_0000159 ;
skos:exactMatch wise:CAS_75-21-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yeO" ;
skos:prefLabel "ethyleenoxide"@nl ;
vcs:vmmParameterId "848"^^xsd:int .
csc:NMWSKOLWZZWHPL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16322 ;
dbo:casNumber "2051-61-8" ;
dbo:formula "C12H9Cl" ;
dbo:inchi "InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H" ;
dbo:iupacName "1-chloro-3-phenylbenzene"@en ;
dbo:pubchem "16322"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC(=CC=C2)Cl" ;
dbp:inchikey "NMWSKOLWZZWHPL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB2" ;
skos:prefLabel "3-chloorbifenyl"@nl .
csc:KVWWIYGFBYDJQC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:102861 ;
dbo:casNumber "80450-69-7" , "24851-98-7" , "29852-02-6" , "2630-39-9" ;
dbo:formula "C13H22O3" ;
dbo:inchi "InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3" ;
dbo:iupacName "methyl 2-(3-oxo-2-pentylcyclopentyl)acetate"@en ;
dbo:pubchem "102861"^^xsd:int ;
dbo:smiles "CCCCCC1C(CCC1=O)CC(=O)OC" ;
dbp:inchikey "KVWWIYGFBYDJQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000512 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yDHjasmnt" ;
skos:prefLabel "methyldihydrojasmonaat"@nl .
csc:RCRHKXGEYNVPDK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17426 ;
dbo:casNumber "2588-05-8" ;
dbo:formula "C7H17O4PS2" ;
dbo:inchi "InChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3" ;
dbo:iupacName "1-(ethoxy-(ethylsulfinylmethylsulfanyl)phosphoryl)oxyethane"@en ;
dbo:pubchem "17426"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)SCS(=O)CC" ;
dbp:inchikey "RCRHKXGEYNVPDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000491 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "forOonSO" ;
skos:prefLabel "foraat-oxon-sulfoxide"@nl .
csc:RAPZEAPATHNIPO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5073 ;
dbo:casNumber "106266-06-2" ;
dbo:formula "C23H27FN4O2" ;
dbo:inchi "InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3" ;
dbo:iupacName "3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one"@en ;
dbo:pubchem "5073"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F" ;
dbp:inchikey "RAPZEAPATHNIPO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001859 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "risprdne" ;
skos:prefLabel "risperidone"@nl .
csc:IBXPYPUJPLLOIN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3090 ;
dbo:casNumber "551-92-8" ;
dbo:formula "C5H7N3O2" ;
dbo:inchi "InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3" ;
dbo:iupacName "1,2-Dimethyl-5-nitroimidazole"@en ;
dbo:pubchem "3090"^^xsd:int ;
dbo:smiles "CC1=NC=C(N1C)[N+](=O)[O-]" ;
dbp:inchikey "IBXPYPUJPLLOIN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000242 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DmTdzl" ;
skos:prefLabel "dimetridazol"@nl .
csc:BZTYNSQSZHARAZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23448 ;
dbo:casNumber "7012-37-5" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H" ;
dbo:iupacName "2,4-dichloro-1-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "23448"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "BZTYNSQSZHARAZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb-28"@nl , "pcb 28"@nl , "2,4,4'-trichloorbifenyl"@nl , "2,4,4'-trichloorbifenyl (pcb28)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_7012-37-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB28" ;
skos:prefLabel "PCB-28"@nl ;
vcs:vmmParameterId "444"^^xsd:int , "1417"^^xsd:int .
csc:UCZDDMGNCJJAHK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115266 ;
dbo:casNumber "5278-95-5" ;
dbo:formula "C2HBr2ClO2" ;
dbo:inchi "InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)" ;
dbo:iupacName "2,2-dibromo-2-chloroacetic acid"@en ;
dbo:pubchem "115266"^^xsd:int ;
dbo:smiles "C(=O)(C(Cl)(Br)Br)O" ;
dbp:inchikey "UCZDDMGNCJJAHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBrClHAc" ;
skos:prefLabel "dibroomchloorazijnzuur"@nl .
csc:NSMUHPMZFPKNMZ-FCFLHPMBSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11953851 ;
dbo:casNumber "519-62-0" ;
dbo:formula "C55H70MgN4O6" ;
dbo:inchi "InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32?,33?,36-,40-,51?;/m0./s1" ;
dbo:iupacName "magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate"@en ;
dbo:pubchem "11953851"^^xsd:int ;
dbo:smiles "CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C=O.[Mg+2]" ;
dbp:inchikey "NSMUHPMZFPKNMZ-FCFLHPMBSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHLFb" ;
skos:prefLabel "chlorofyl-b"@nl .
csc:HJOVHMDZYOCNQW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6544 ;
dbo:casNumber "78-59-1" ;
dbo:formula "C9H14O" ;
dbo:inchi "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" ;
dbo:iupacName "3,5,5-trimethylcyclohex-2-en-1-one"@en ;
dbo:pubchem "6544"^^xsd:int ;
dbo:smiles "CC1=CC(=O)CC(C1)(C)C" ;
dbp:inchikey "HJOVHMDZYOCNQW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004325 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ifrn" ;
skos:prefLabel "isoforon"@nl .
csc:YJMNOKOLADGBKA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6846 ;
dbo:casNumber "25551-35-3" , "86-53-3" ;
dbo:formula "C11H7N" ;
dbo:inchi "InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H" ;
dbo:iupacName "Naphthalene-1-carbonitrile"@en ;
dbo:pubchem "6846"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2C#N" ;
dbp:inchikey "YJMNOKOLADGBKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf1cbntl" ;
skos:prefLabel "naftaleen-1-carbonitril"@nl .
csc:IWDCLRJOBJJRNH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2879 ;
dbo:casNumber "106-44-5" , "72269-62-6" , "1319-77-3" , "2876-02-0" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" ;
dbo:iupacName "4-Methylphenol"@en ;
dbo:pubchem "2879"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)O" ;
dbp:inchikey "IWDCLRJOBJJRNH-UHFFFAOYSA-N" ;
skos:altLabel "p-cresol"@nl , "4-methylfenol (p-cresol)"@nl ;
skos:broader csc:CHEMONTID_0001275 ;
skos:exactMatch wise:CAS_106-44-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pcresl" , "scresl" ;
skos:prefLabel "4-methylfenol"@nl ;
vcs:vmmParameterId "695"^^xsd:int .
csc:PESKGJQREUXSRR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:85881 ;
dbo:casNumber "15600-08-5" ;
dbo:formula "C27H46O" ;
dbo:inchi "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3" ;
dbo:iupacName "10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "85881"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C" ;
dbp:inchikey "PESKGJQREUXSRR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5acholet3on" ;
skos:prefLabel "5-alfa-cholestan-3-one"@nl .
csc:YSXKPIUOCJLQIE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2381 ;
dbo:casNumber "514-65-8" ;
dbo:formula "C21H29NO" ;
dbo:inchi "InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2" ;
dbo:iupacName "1-(6-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol"@en ;
dbo:pubchem "2381"^^xsd:int ;
dbo:smiles "C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O" ;
dbp:inchikey "YSXKPIUOCJLQIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "biprdn" ;
skos:prefLabel "biperiden"@nl .
csc:MCAHWIHFGHIESP-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1090 ;
dbo:casNumber "14124-67-5" ;
dbo:formula "O3Se-2" ;
dbo:inchi "InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2" ;
dbo:iupacName "selenite"@en ;
dbo:pubchem "1090"^^xsd:int ;
dbo:smiles "[O-][Se](=O)[O-]" ;
dbp:inchikey "MCAHWIHFGHIESP-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001076 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SeO3" ;
skos:prefLabel "seleniet"@nl .
csc:OGPBJKLSAFTDLK-IGMARMGPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104907 ;
dbo:casNumber "14683-23-9" ;
dbo:formula "Eu" ;
dbo:inchi "InChI=1S/Eu/i1+0" ;
dbo:iupacName "europium-152"@en ;
dbo:pubchem "104907"^^xsd:int ;
dbo:smiles "[Eu]" ;
dbp:inchikey "OGPBJKLSAFTDLK-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Eu152" ;
skos:prefLabel "europium 152"@nl .
csc:OWDLFBLNMPCXSD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:42850 ;
dbo:casNumber "58810-48-3" , "75789-32-1" ;
dbo:formula "C14H16ClNO3" ;
dbo:inchi "InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3" ;
dbo:iupacName "2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide"@en ;
dbo:pubchem "42850"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl" ;
dbp:inchikey "OWDLFBLNMPCXSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ofrce" ;
skos:prefLabel "ofurace"@nl .
csc:CDMGNVWZXRKJNS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24216 ;
dbo:casNumber "534-83-8" , "28994-41-4" , "1322-51-6" ;
dbo:formula "C13H12O" ;
dbo:inchi "InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2" ;
dbo:iupacName "2-(phenylmethyl)phenol"@en ;
dbo:pubchem "24216"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC2=CC=CC=C2O" ;
dbp:inchikey "CDMGNVWZXRKJNS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2-benzylfenol"@nl .
csc:JLYFCTQDENRSOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91744 ;
dbo:casNumber "87674-68-8" ;
dbo:formula "C12H18ClNO2S" ;
dbo:inchi "InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3" ;
dbo:iupacName "2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide"@en ;
dbo:pubchem "91744"^^xsd:int ;
dbo:smiles "CC1=CSC(=C1N(C(C)COC)C(=O)CCl)C" ;
dbp:inchikey "JLYFCTQDENRSOL-UHFFFAOYSA-N" ;
skos:altLabel "dimethenamid"@nl ;
skos:broader csc:CHEMONTID_0004144 ;
skos:exactMatch wise:CAS_87674-68-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DmtAd" ;
skos:prefLabel "dimethenamide"@nl ;
vcs:vmmParameterId "1231"^^xsd:int .
csc:JCDWETOKTFWTHA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18369 ;
dbo:casNumber "3112-85-4" ;
dbo:formula "C7H8O2S" ;
dbo:inchi "InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3" ;
dbo:iupacName "methylsulfonylbenzene"@en ;
dbo:pubchem "18369"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC=CC=C1" ;
dbp:inchikey "JCDWETOKTFWTHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yFysfn" ;
skos:prefLabel "methylfenylsulfon"@nl .
csc:UQXKXGWGFRWILX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40818 ;
dbo:casNumber "121749-11-9" , "628-96-6" ;
dbo:formula "C2H4N2O6" ;
dbo:inchi "InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2" ;
dbo:iupacName "2-nitrooxyethyl nitrate"@en ;
dbo:pubchem "40818"^^xsd:int ;
dbo:smiles "C(CO[N+](=O)[O-])O[N+](=O)[O-]" ;
dbp:inchikey "UQXKXGWGFRWILX-UHFFFAOYSA-N" ;
skos:altLabel "ethyleenglycoldinitraat (EGDN)"@nl ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yegcDNO3" ;
skos:prefLabel "ethyleenglycoldinitraat (egdn)"@nl .
csc:PTTPXKJBFFKCEK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7958 ;
dbo:casNumber "68514-40-9" , "108-83-8" ;
dbo:formula "C9H18O" ;
dbo:inchi "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" ;
dbo:iupacName "2,6-Dimethylheptan-4-one"@en ;
dbo:pubchem "7958"^^xsd:int ;
dbo:smiles "CC(C)CC(=O)CC(C)C" ;
dbp:inchikey "PTTPXKJBFFKCEK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_007 ;
skos:altLabel "2,6-dimethyl-4-heptanon"@nl ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1y4C7on" ;
skos:prefLabel "2,6-dimethylheptaan-4-on"@nl .
csc:XCSGPAVHZFQHGE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2078 ;
dbo:casNumber "15972-60-8" ;
dbo:formula "C14H20ClNO2" ;
dbo:inchi "InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3" ;
dbo:iupacName "2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide"@en ;
dbo:pubchem "2078"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl" ;
dbp:inchikey "XCSGPAVHZFQHGE-UHFFFAOYSA-N" ;
skos:altLabel "alachlor"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_15972-60-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alCl" ;
skos:prefLabel "alachloor"@nl ;
vcs:vmmParameterId "751"^^xsd:int .
csc:VGVHNLRUAMRIEW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:11525 ;
dbo:casNumber "1331-22-2" , "589-92-4" ;
dbo:formula "C7H12O" ;
dbo:inchi "InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3" ;
dbo:iupacName "4-methylcyclohexan-1-one"@en ;
dbo:pubchem "11525"^^xsd:int ;
dbo:smiles "CC1CCC(=O)CC1" ;
dbp:inchikey "VGVHNLRUAMRIEW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_007 ;
skos:altLabel "methylcyclohexanon "@nl , "methylcyclohexanon"@nl ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cy1cycC6on" ;
skos:prefLabel "4-methylcyclohexanon"@nl .
csc:YHJDZIQOCSDIQU-OEDJVVDHSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62979 ;
dbo:casNumber "15686-71-2" , "105879-42-3" ;
dbo:formula "C16H20ClN3O5S" ;
dbo:inchi "InChI=1S/C16H17N3O4S.ClH.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H;1H2/t10-,11-,15-;;/m1../s1" ;
dbo:iupacName "(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate hydrochloride"@en ;
dbo:pubchem "62979"^^xsd:int ;
dbo:smiles "CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O.Cl" ;
dbp:inchikey "YHJDZIQOCSDIQU-OEDJVVDHSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ceflxne" ;
skos:prefLabel "cefalexine"@nl .
csc:MXBVNILGVJVVMH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9209 ;
dbo:casNumber "253-69-0" ;
dbo:formula "C8H6N2" ;
dbo:inchi "InChI=1S/C8H6N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-6H" ;
dbo:iupacName "1,7-NAPHTHYRIDINE"@en ;
dbo:pubchem "9209"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=NC=C2)N=C1" ;
dbp:inchikey "MXBVNILGVJVVMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001857 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "17naftrdne" ;
skos:prefLabel "1,7-naftyridine"@nl .
csc:ODZTXUXIYGJLMC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10785 ;
dbo:casNumber "114818-70-1" , "30282-14-5" , "533-60-8" ;
dbo:formula "C6H10O2" ;
dbo:inchi "InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2" ;
dbo:iupacName "2-Hydroxycyclohexan-1-one"@en ;
dbo:pubchem "10785"^^xsd:int ;
dbo:smiles "C1CCC(=O)C(C1)O" ;
dbp:inchikey "ODZTXUXIYGJLMC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxccC6on" ;
skos:prefLabel "2-hydroxy-cyclohexanon"@nl .
csc:FZLIPJUXYLNCLC-OUBTZVSYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104882 ;
dbo:casNumber "13981-28-7" ;
dbo:formula "La" ;
dbo:inchi "InChI=1S/La/i1+1" ;
dbo:iupacName "lanthanum-140"@en ;
dbo:pubchem "104882"^^xsd:int ;
dbo:smiles "[La]" ;
dbp:inchikey "FZLIPJUXYLNCLC-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "La140" ;
skos:prefLabel "lanthaan 140"@nl .
csc:AWYOMXWDGWUJHS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93516 ;
dbo:casNumber "96182-53-5" ;
dbo:formula "C13H23N2O3PS" ;
dbo:inchi "InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3" ;
dbo:iupacName "(2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "93516"^^xsd:int ;
dbo:smiles "CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C" ;
dbp:inchikey "AWYOMXWDGWUJHS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004771 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebprfs" ;
skos:prefLabel "tebupirimfos"@nl .
csc:ZYURHZPYMFLWSH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12408 ;
dbo:casNumber "630-02-4" ;
dbo:formula "C28H58" ;
dbo:inchi "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3" ;
dbo:iupacName "Octacosane"@en ;
dbo:pubchem "12408"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "ZYURHZPYMFLWSH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C28a" ;
skos:prefLabel "octacosaan"@nl .
csc:KVBGVZZKJNLNJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8420 ;
dbo:casNumber "120-18-3" , "54257-18-0" ;
dbo:formula "C10H8O3S" ;
dbo:inchi "InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)" ;
dbo:iupacName "naphthalene-2-sulfonic acid"@en ;
dbo:pubchem "8420"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O" ;
dbp:inchikey "KVBGVZZKJNLNJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Nafsfzr" ;
skos:prefLabel "2-naftaleensulfonzuur"@nl .
csc:YMRMDGSNYHCUCL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9631 ;
dbo:casNumber "354-23-4" ;
dbo:formula "C2HCl2F3" ;
dbo:inchi "InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H" ;
dbo:iupacName "1,2-Dichloro-1,1,2-trifluoroethane"@en ;
dbo:pubchem "9631"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(F)Cl" ;
dbp:inchikey "YMRMDGSNYHCUCL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK123a" ;
skos:prefLabel "1,2-dichloor-1,1,2-trifluorethaan"@nl .
csc:RGNPBRKPHBKNKX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91741 ;
dbo:casNumber "86479-06-3" ;
dbo:formula "C16H8Cl2F6N2O3" ;
dbo:inchi "InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)" ;
dbo:iupacName "N-[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "91741"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC(C(F)F)(F)F)Cl)F" ;
dbp:inchikey "RGNPBRKPHBKNKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hxfmrn" ;
skos:prefLabel "hexaflumuron"@nl .
csc:JCXJVPUVTGWSNB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II diverse art."@nl , "VLAR II bijl. 4.4.2"@nl , "VLAR bijl. 2.5.3. 'NO2'"@nl ;
rdfs:seeAlso compound:3032552 ;
dbo:casNumber "127999-62-6" , "78246-05-6" , "56003-83-9" , "119990-11-3" , "50443-93-1" , "66252-28-6" , "10102-44-0" ;
dbo:formula "NO2" ;
dbo:inchi "InChI=1S/NO2/c2-1-3" ;
dbo:iupacName "Nitrogen dioxide"@en ;
dbo:pubchem "3032552"^^xsd:int ;
dbo:smiles "N(=O)[O]" ;
dbp:inchikey "JCXJVPUVTGWSNB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "stikstofdioxide (no2)"@nl ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "stikstofdioxide (NO2)"@nl .
csc:XOJVVFBFDXDTEG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15979 ;
dbo:casNumber "1921-70-6" ;
dbo:formula "C19H40" ;
dbo:inchi "InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3" ;
dbo:iupacName "2,6,10,14-Tetramethylpentadecane"@en ;
dbo:pubchem "15979"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(C)C" ;
dbp:inchikey "XOJVVFBFDXDTEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "261014T4C1yC" ;
skos:prefLabel "2,6,10,14-tetramethylpentadecaan"@nl .
csc:WATWJIUSRGPENY-IGMARMGPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335836 ;
dbo:casNumber "14374-79-9" ;
dbo:formula "Sb" ;
dbo:inchi "InChI=1S/Sb/i1+0" ;
dbo:iupacName "antimony-122"@en ;
dbo:pubchem "6335836"^^xsd:int ;
dbo:smiles "[Sb]" ;
dbp:inchikey "WATWJIUSRGPENY-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb122" ;
skos:prefLabel "antimoon 122"@nl .
csc:HRBKVYFZANMGRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21803 ;
dbo:casNumber "5598-13-0" ;
dbo:formula "C7H7Cl3NO3PS" ;
dbo:inchi "InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3" ;
dbo:iupacName "dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane"@en ;
dbo:pubchem "21803"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "HRBKVYFZANMGRE-UHFFFAOYSA-N" ;
skos:altLabel "methylchloorpyrifos"@nl , "chloorpyrifos-methyl"@nl ;
skos:broader csc:CHEMONTID_0004623 ;
skos:exactMatch wise:CAS_5598-13-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yClprfs" ;
skos:prefLabel "chlorpyrifos-methyl"@nl ;
vcs:vmmParameterId "687"^^xsd:int .
csc:XOUQAVYLRNOXDO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6937 ;
dbo:casNumber "88-60-8" ;
dbo:formula "C11H16O" ;
dbo:inchi "InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3" ;
dbo:iupacName "2-tert-Butyl-5-methylphenol"@en ;
dbo:pubchem "6937"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C(C)(C)C)O" ;
dbp:inchikey "XOUQAVYLRNOXDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "211DC1yC2y5C" ;
skos:prefLabel "2-(1,1-dimethylethyl)-5-methylfenol"@nl .
csc:BWZVCCNYKMEVEX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7953 ;
dbo:casNumber "108-75-8" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" ;
dbo:iupacName "2,4,6-Trimethylpyridine"@en ;
dbo:pubchem "7953"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=C1)C)C" ;
dbp:inchikey "BWZVCCNYKMEVEX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TC1yprdne" ;
skos:prefLabel "2,4,6-trimethylpyridine"@nl .
csc:JLGLQAWTXXGVEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8178 ;
dbo:casNumber "112-35-6" ;
dbo:formula "C7H16O4" ;
dbo:inchi "InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3" ;
dbo:iupacName "2-[2-(2-Methoxyethoxy)ethoxy]ethanol"@en ;
dbo:pubchem "8178"^^xsd:int ;
dbo:smiles "COCCOCCOCCO" ;
dbp:inchikey "JLGLQAWTXXGVEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "222C1oxC2oxC" ;
skos:prefLabel "2-(2-(2-methoxyethoxy)ethoxy)ethanol"@nl .
csc:JUWUWIGZUVEFQB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:107217 ;
dbo:casNumber "4057-31-2" ;
dbo:formula "C12H20O2" ;
dbo:inchi "InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3" ;
dbo:iupacName "(1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate"@en ;
dbo:pubchem "107217"^^xsd:int ;
dbo:smiles "CC(=O)OC1C(C2CCC1(C2)C)(C)C" ;
dbp:inchikey "JUWUWIGZUVEFQB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "afencactt" ;
skos:prefLabel "alfa-fenchylacetaat"@nl .
csc:OKBJVIVEFXPEOU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38017 ;
dbo:casNumber "38380-05-1" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-3-4-7(14)11(17)9(6)5-1-2-8(15)12(18)10(5)16/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "38017"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "OKBJVIVEFXPEOU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB132" ;
skos:prefLabel "2,2',3,3',4,6'-hexachloorbifenyl"@nl .
csc:JPOXNPPZZKNXOV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6333 ;
dbo:casNumber "74-97-5" , "83847-49-8" , "13590-47-1" ;
dbo:formula "CH2BrCl" ;
dbo:inchi "InChI=1S/CH2BrCl/c2-1-3/h1H2" ;
dbo:iupacName "bromo-chloromethane"@en ;
dbo:pubchem "6333"^^xsd:int ;
dbo:smiles "C(Cl)Br" ;
dbp:inchikey "JPOXNPPZZKNXOV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_74-97-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halon1011" ;
skos:prefLabel "broomchloormethaan"@nl ;
vcs:vmmParameterId "541"^^xsd:int .
csc:VXQBJTKSVGFQOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31288 ;
dbo:casNumber "98100-70-0" , "124-17-4" ;
dbo:formula "C10H20O4" ;
dbo:inchi "InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3" ;
dbo:iupacName "2-(2-Butoxyethoxy)ethyl acetate"@en ;
dbo:pubchem "31288"^^xsd:int ;
dbo:smiles "CCCCOCCOCCOC(=O)C" ;
dbp:inchikey "VXQBJTKSVGFQOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C4oxC2ox02" ;
skos:prefLabel "2-(2-butoxyethoxy)ethylacetaat"@nl .
csc:MTVNAPYHLASOSX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:606997 ;
dbo:casNumber "19814-75-6" ;
dbo:formula "C15H14O" ;
dbo:inchi "InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3" ;
dbo:iupacName "9,9-Dimethylxanthene"@en ;
dbo:pubchem "606997"^^xsd:int ;
dbo:smiles "CC1(C2=CC=CC=C2OC3=CC=CC=C31)C" ;
dbp:inchikey "MTVNAPYHLASOSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000200 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "99DC1yxtn" ;
skos:prefLabel "9,9-dimethylxantheen"@nl .
csc:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art)"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:996 ;
dbo:casNumber "27073-41-2" , "63496-48-0" , "73607-76-8" , "61788-41-8" , "108-95-2" , "1336-35-2" , "50356-25-7" , "14534-23-7" , "8002-07-1" ;
dbo:formula "C6H6O" ;
dbo:inchi "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" ;
dbo:iupacName "PHENOL"@en ;
dbo:pubchem "996"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)O" ;
dbp:inchikey "ISWSIDIOOBJBQZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_005 ;
skos:broader csc:CHEMONTID_0004647 ;
skos:exactMatch wise:CAS_108-95-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fol" ;
skos:prefLabel "fenol"@nl ;
vcs:vmmParameterId "569"^^xsd:int .
csc:WSPOMRSOLSGNFJ-AUWJEWJLSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:667467 ;
dbo:casNumber "113-59-7" ;
dbo:formula "C18H18ClNS" ;
dbo:inchi "InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-" ;
dbo:iupacName "(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine"@en ;
dbo:pubchem "667467"^^xsd:int ;
dbo:smiles "CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl" ;
dbp:inchikey "WSPOMRSOLSGNFJ-AUWJEWJLSA-N" ;
skos:broader csc:CHEMONTID_0000199 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clptxne" ;
skos:prefLabel "chloorprothixene"@nl .
csc:ZAGRQXMWMRUYRB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:63079 ;
dbo:casNumber "74472-44-9" , "41411-62-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-11(17)8(15)4-9(16)12(10)18/h1-4H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "63079"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "ZAGRQXMWMRUYRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB160" ;
skos:prefLabel "2,3,3',4,5,6-hexachloorbifenyl"@nl .
csc:QNBTYORWCCMPQP-JXAWBTAJSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5463781 ;
dbo:casNumber "110488-70-5" ;
dbo:formula "C21H22ClNO4" ;
dbo:inchi "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-" ;
dbo:iupacName "(Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one"@en ;
dbo:pubchem "5463781"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC" ;
dbp:inchikey "QNBTYORWCCMPQP-JXAWBTAJSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_110488-70-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmtmf" ;
skos:prefLabel "dimethomorf"@nl ;
vcs:vmmParameterId "1232"^^xsd:int .
csc:JTPNRXUCIXHOKM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7003 ;
dbo:casNumber "90-13-1" ;
dbo:formula "C10H7Cl" ;
dbo:inchi "InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" ;
dbo:iupacName "1-Chloronaphthalene"@en ;
dbo:pubchem "7003"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2Cl" ;
dbp:inchikey "JTPNRXUCIXHOKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004794 ;
skos:exactMatch wise:CAS_90-13-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClNaf" ;
skos:prefLabel "1-chloornaftaleen"@nl ;
vcs:vmmParameterId "334"^^xsd:int .
csc:CMGDVUCDZOBDNL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:122499 ;
dbo:casNumber "29878-31-7" , "29385-43-1" ;
dbo:formula "C7H7N3" ;
dbo:inchi "InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)" ;
dbo:iupacName "4-methyl-2H-benzotriazole"@en ;
dbo:pubchem "122499"^^xsd:int ;
dbo:smiles "CC1=CC=CC2=NNN=C12" ;
dbp:inchikey "CMGDVUCDZOBDNL-UHFFFAOYSA-N" ;
skos:altLabel "4-methyl-1H-benzotriazool"@nl ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y1Hbztazl" , "4C1y1Hbztazl" ;
skos:prefLabel "methyl-1H-benzotriazool"@nl .
csc:IDOWTHOLJBTAFI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24744 ;
dbo:casNumber "13684-63-4" ;
dbo:formula "C16H16N2O4" ;
dbo:inchi "InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)" ;
dbo:iupacName "[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate"@en ;
dbo:pubchem "24744"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC" ;
dbp:inchikey "IDOWTHOLJBTAFI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenmdfm" ;
skos:prefLabel "fenmedifam"@nl .
csc:HCJLVWUMMKIQIM-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8568 ;
dbo:casNumber "131-52-2" ;
dbo:formula "C6Cl5NaO" ;
dbo:inchi "InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1" ;
dbo:iupacName "sodium 2,3,4,5,6-pentachlorophenolate"@en ;
dbo:pubchem "8568"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]" ;
dbp:inchikey "HCJLVWUMMKIQIM-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaPeClfnt" ;
skos:prefLabel "natriumpentachloorfenaat"@nl .
csc:VBJZVLUMGGDVMO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23986 ;
dbo:casNumber "7440-58-6" , "412316-00-8" ;
dbo:formula "Hf" ;
dbo:inchi "InChI=1S/Hf" ;
dbo:iupacName "HAFNIUM"@en ;
dbo:pubchem "23986"^^xsd:int ;
dbo:smiles "[Hf]" ;
dbp:inchikey "VBJZVLUMGGDVMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hf" ;
skos:prefLabel "hafnium"@nl .
csc:LWLJUMBEZJHXHV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16686 ;
dbo:casNumber "2227-17-0" ;
dbo:formula "C10Cl10" ;
dbo:inchi "InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18" ;
dbo:iupacName "1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachloro-1-cyclopenta-2,4-dienyl)cyclopenta-1,3-diene"@en ;
dbo:pubchem "16686"^^xsd:int ;
dbo:smiles "C1(=C(C(C(=C1Cl)Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "LWLJUMBEZJHXHV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DenCl" ;
skos:prefLabel "dienochloor"@nl .
csc:MKIMSXGUTQTKJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:33112 ;
dbo:casNumber "25606-41-1" , "24579-73-5" ;
dbo:formula "C9H21ClN2O2" ;
dbo:inchi "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" ;
dbo:iupacName "dimethyl-[3-(propoxycarbonylamino)propyl]azanium chloride"@en ;
dbo:pubchem "33112"^^xsd:int ;
dbo:smiles "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" ;
dbp:inchikey "MKIMSXGUTQTKJU-UHFFFAOYSA-N" ;
skos:altLabel "propamocarb"@nl ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propmcbHCl" , "propmcb" ;
skos:prefLabel "propamocarb hydrochloride"@nl .
csc:FYGHSUNMUKGBRK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'trimethylbenzeen'"@nl ;
rdfs:seeAlso compound:10686 ;
dbo:casNumber "25551-13-7" , "526-73-8" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" ;
dbo:iupacName "1,2,3-Trimethylbenzene"@en ;
dbo:pubchem "10686"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)C" ;
dbp:inchikey "FYGHSUNMUKGBRK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_001 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TC1yBen" ;
skos:prefLabel "1,2,3-trimethylbenzeen"@nl .
csc:GUTLYIVDDKVIGB-YPZZEJLDSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104851 ;
dbo:casNumber "13981-50-5" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co/i1-2" ;
dbo:iupacName "cobalt-57"@en ;
dbo:pubchem "104851"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "GUTLYIVDDKVIGB-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co57" ;
skos:prefLabel "kobalt 57"@nl .
csc:QGJOPFRUJISHPQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II Art. 5.7.14.1"@nl , "VLAREM II bijlage 4.4.2 'zwavelkoolstof'"@nl ;
rdfs:seeAlso compound:6348 ;
dbo:casNumber "355120-85-3" , "75-15-0" , "12539-80-9" ;
dbo:formula "CS2" ;
dbo:inchi "InChI=1S/CS2/c2-1-3" ;
dbo:iupacName "methanedithione"@en ;
dbo:pubchem "6348"^^xsd:int ;
dbo:smiles "C(=S)=S" ;
dbp:inchikey "QGJOPFRUJISHPQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000555 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CS2" ;
skos:prefLabel "koolstofdisulfide"@nl .
csc:NTJOBXMMWNYJFB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2159 ;
dbo:casNumber "71675-85-9" ;
dbo:formula "C17H27N3O4S" ;
dbo:inchi "InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)" ;
dbo:iupacName "4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide"@en ;
dbo:pubchem "2159"^^xsd:int ;
dbo:smiles "CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC" ;
dbp:inchikey "NTJOBXMMWNYJFB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001917 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amspde" ;
skos:prefLabel "amisulpride"@nl .
csc:ATCRIUVQKHMXSH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5787 ;
dbo:casNumber "50-84-0" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)" ;
dbo:iupacName "2,4-Dichlorobenzoic acid"@en ;
dbo:pubchem "5787"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C(=O)O" ;
dbp:inchikey "ATCRIUVQKHMXSH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClbenzzr" ;
skos:prefLabel "2,4-dichloorbenzoezuur"@nl .
csc:TZIZWYVVGLXXFV-FLRHRWPCSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21826 ;
dbo:casNumber "5611-51-8" ;
dbo:formula "C30H41FO7" ;
dbo:inchi "InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1" ;
dbo:iupacName "[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate"@en ;
dbo:pubchem "21826"^^xsd:int ;
dbo:smiles "CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)COC(=O)CC(C)(C)C)C)O)F)C)C" ;
dbp:inchikey "TZIZWYVVGLXXFV-FLRHRWPCSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TacnlnHxactn" ;
skos:prefLabel "triamcinolonehexacetonide"@nl .
csc:LAHWLEDBADHJGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37807 ;
dbo:casNumber "37680-73-2" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "37807"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "LAHWLEDBADHJGA-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,2',4,5,5'-pentachloorbifenyl"@nl , "pcb 101"@nl , "PCB-101"@nl , "2,2',4,5,5'-pentachloorbifenyl (pcb101)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_37680-73-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB101" ;
skos:prefLabel "pcb-101"@nl ;
vcs:vmmParameterId "440"^^xsd:int , "1412"^^xsd:int .
csc:HECLRDQVFMWTQS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6492 ;
dbo:casNumber "107760-16-7" , "45737-84-6" , "151065-56-4" , "1755-01-7" , "77-73-6" , "60328-38-3" , "54335-17-0" , "25038-78-2" ;
dbo:formula "C10H12" ;
dbo:inchi "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" ;
dbo:iupacName "tricyclo[5.2.1.02,6]deca-3,8-diene"@en ;
dbo:pubchem "6492"^^xsd:int ;
dbo:smiles "C1C=CC2C1C3CC2C=C3" ;
dbp:inchikey "HECLRDQVFMWTQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004149 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DccPeDen" ;
skos:prefLabel "dicyclopentadieen"@nl .
csc:PPBRXRYQALVLMV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7501 ;
dbo:casNumber "68987-41-7" , "100-42-5" , "68441-35-0" , "12770-88-6" , "9003-53-6" , "79637-11-9" ;
dbo:formula "C8H8" ;
dbo:inchi "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" ;
dbo:iupacName "Ethenylbenzene"@en ;
dbo:pubchem "7501"^^xsd:int ;
dbo:smiles "C=CC1=CC=CC=C1" ;
dbp:inchikey "PPBRXRYQALVLMV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_001 , co:LUC_IV_000 ;
skos:altLabel "polystyreen"@nl ;
skos:broader csc:CHEMONTID_0000037 ;
skos:exactMatch wise:CAS_100-42-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "polstyrn" , "styrn" ;
skos:prefLabel "styreen"@nl ;
vcs:vmmParameterId "222"^^xsd:int .
csc:MEFQWPUMEMWTJP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:50465 ;
dbo:casNumber "69377-81-7" ;
dbo:formula "C7H5Cl2FN2O3" ;
dbo:inchi "InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)" ;
dbo:iupacName "2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetic acid"@en ;
dbo:pubchem "50465"^^xsd:int ;
dbo:smiles "C(C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F" ;
dbp:inchikey "MEFQWPUMEMWTJP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:exactMatch wise:CAS_69377-81-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurOxpr" ;
skos:prefLabel "fluroxypyr"@nl ;
vcs:vmmParameterId "1003"^^xsd:int .
csc:CFRPSFYHXJZSBI-DHZHZOJOSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3034287 ;
dbo:casNumber "150824-47-8" ;
dbo:formula "C11H15ClN4O2" ;
dbo:inchi "InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+" ;
dbo:iupacName "[\"(E)-N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine\", \"N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine\"]"@en ;
dbo:pubchem "3034287"^^xsd:int ;
dbo:smiles "CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])NC" ;
dbp:inchikey "CFRPSFYHXJZSBI-DHZHZOJOSA-N" ;
skos:altLabel "e-nitenpyram"@nl ;
skos:broader csc:CHEMONTID_0004532 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "E-nitprm" ;
skos:prefLabel "E-nitenpyram"@nl .
csc:GRSQYISVQKPZCW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11733 ;
dbo:casNumber "598-77-6" ;
dbo:formula "C3H5Cl3" ;
dbo:inchi "InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3" ;
dbo:iupacName "1,1,2-TRICHLOROPROPANE"@en ;
dbo:pubchem "11733"^^xsd:int ;
dbo:smiles "CC(C(Cl)Cl)Cl" ;
dbp:inchikey "GRSQYISVQKPZCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "112TClC3a" ;
skos:prefLabel "1,1,2-trichloorpropaan"@nl .
csc:PFEOZHBOMNWTJB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7282 ;
dbo:casNumber "96-14-0" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" ;
dbo:iupacName "3-Methylpentane"@en ;
dbo:pubchem "7282"^^xsd:int ;
dbo:smiles "CCC(C)CC" ;
dbp:inchikey "PFEOZHBOMNWTJB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yC5a" ;
skos:prefLabel "3-methylpentaan"@nl .
csc:LEONUFNNVUYDNQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3) 'Vanadium en vanadiumverbindingen, uitgedrukt in vanadium (V)'"@nl , "VLAR II bijl. 4.4.2 'vanadium en zijn verbindingen, uitgedrukt in V'"@nl , "VLAR II D5 'vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)' of 'vanadium'"@nl , "VLAR III (D3, diverse art) 'V'"@nl , "VLAR III (D3) 'vanadium'"@nl ;
rdfs:seeAlso compound:23990 ;
dbo:casNumber "7440-62-2" , "22537-31-1" , "14782-33-3" , "22541-77-1" , "24763-58-4" , "195161-77-4" ;
dbo:formula "V" ;
dbo:inchi "InChI=1S/V" ;
dbo:iupacName "Vanadium"@en ;
dbo:pubchem "23990"^^xsd:int ;
dbo:smiles "[V]" ;
dbp:inchikey "LEONUFNNVUYDNQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "vanadium (v)"@nl , "Vanadium (V)"@nl , "vanadium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)"@nl ;
skos:exactMatch wise:CAS_7440-62-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "V" ;
skos:prefLabel "vanadium"@nl ;
vcs:vmmParameterId "197"^^xsd:int , "198"^^xsd:int , "1979"^^xsd:int , "199"^^xsd:int .
csc:FIADGNVRKBPQEU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:27400 ;
dbo:casNumber "15574-96-6" ;
dbo:formula "C19H21NS" ;
dbo:inchi "InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3" ;
dbo:iupacName "1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine"@en ;
dbo:pubchem "27400"^^xsd:int ;
dbo:smiles "CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1" ;
dbp:inchikey "FIADGNVRKBPQEU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "piztfn" ;
skos:prefLabel "pizotifen"@nl .
csc:ITKAIUGKVKDENI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6451139 ;
dbo:casNumber "105779-78-0" ;
dbo:formula "C20H28ClN3O2" ;
dbo:inchi "InChI=1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)" ;
dbo:iupacName "5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine"@en ;
dbo:pubchem "6451139"^^xsd:int ;
dbo:smiles "CCC1=C(C(=NC=N1)NCCOC2=C(C(=C(C=C2)CCOCC)C)C)Cl" ;
dbp:inchikey "ITKAIUGKVKDENI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrmdfn" ;
skos:prefLabel "pyrimidifen"@nl .
csc:MYPKGPZHHQEODQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31899 ;
dbo:casNumber "23422-53-9" , "18413-17-7" , "22259-30-9" , "26445-73-8" ;
dbo:formula "C11H16ClN3O2" ;
dbo:inchi "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" ;
dbo:iupacName "[3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate hydrochloride"@en ;
dbo:pubchem "31899"^^xsd:int ;
dbo:smiles "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" ;
dbp:inchikey "MYPKGPZHHQEODQ-UHFFFAOYSA-N" ;
skos:altLabel "formetanaat"@nl ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "formtnHCl" , "formtnt" ;
skos:prefLabel "formetanaat-hydrochloride"@nl .
csc:DMYHGDXADUDKCQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:86356 ;
dbo:casNumber "120928-09-8" ;
dbo:formula "C20H22N2O" ;
dbo:inchi "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" ;
dbo:iupacName "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline"@en ;
dbo:pubchem "86356"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32" ;
dbp:inchikey "DMYHGDXADUDKCQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000485 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenzqn" ;
skos:prefLabel "fenazaquin"@nl .
csc:OLBCVFGFOZPWHH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4943 ;
dbo:casNumber "2078-54-8" , "28449-97-0" , "50356-15-5" ;
dbo:formula "C12H18O" ;
dbo:inchi "InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3" ;
dbo:iupacName "2,6-di(propan-2-yl)phenol"@en ;
dbo:pubchem "4943"^^xsd:int ;
dbo:smiles "CC(C)C1=C(C(=CC=C1)C(C)C)O" ;
dbp:inchikey "OLBCVFGFOZPWHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propfl" ;
skos:prefLabel "propofol"@nl .
csc:FYQGBXGJFWXIPP-UEVLXMDPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5372477 ;
dbo:casNumber "41205-09-8" , "36557-30-9" , "36804-82-7" , "38473-62-0" , "41096-46-2" ;
dbo:formula "C17H30O2" ;
dbo:inchi "InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3/b12-8+,16-13+" ;
dbo:iupacName "['ethyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate', 'Ethyl 3,7,11-trimethyldodeca-2,4-dienoate']"@en ;
dbo:pubchem "5372477"^^xsd:int ;
dbo:smiles "CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C" ;
dbp:inchikey "FYQGBXGJFWXIPP-UEVLXMDPSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hpn" ;
skos:prefLabel "hydropreen"@nl .
csc:OWXJKYNZGFSVRC-IHWYPQMZSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5326315 ;
dbo:casNumber "590-21-6" , "16136-84-8" ;
dbo:formula "C3H5Cl" ;
dbo:inchi "InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2-" ;
dbo:iupacName "(Z)-1-chloroprop-1-ene"@en ;
dbo:pubchem "5326315"^^xsd:int ;
dbo:smiles "CC=CCl" ;
dbp:inchikey "OWXJKYNZGFSVRC-IHWYPQMZSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c1Cl1C3e" ;
skos:prefLabel "cis-1-chloor-1-propeen"@nl .
csc:RUELTTOHQODFPA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7040 ;
dbo:casNumber "137091-34-0" , "91-08-7" , "9017-01-0" , "168753-74-0" , "110839-12-8" ;
dbo:formula "C9H6N2O2" ;
dbo:inchi "InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3" ;
dbo:iupacName "1,3-Diisocyanato-2-methylbenzene"@en ;
dbo:pubchem "7040"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1N=C=O)N=C=O" ;
dbp:inchikey "RUELTTOHQODFPA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003983 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26TolDiCN" ;
skos:prefLabel "2,6-tolueendiisocyanaat"@nl .
csc:QQCFBZCATDIWTH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:135290 ;
dbo:casNumber "68011-67-6" ;
dbo:formula "C15H12N2O2" ;
dbo:inchi "InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)" ;
dbo:iupacName "9-hydroxybenzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "135290"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=C(C=C3)O" ;
dbp:inchikey "QQCFBZCATDIWTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3HOxcbmzpne" ;
skos:prefLabel "3-hydroxy carbamazepine"@nl .
csc:JNCSIWAONQTVCF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9183 ;
dbo:casNumber "226-36-8" ;
dbo:formula "C21H13N" ;
dbo:inchi "InChI=1S/C21H13N/c1-3-7-17-14(5-1)11-12-20-19(17)13-16-10-9-15-6-2-4-8-18(15)21(16)22-20/h1-13H" ;
dbo:iupacName "2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene"@en ;
dbo:pubchem "9183"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=CC=CC=C5C4=N3" ;
dbp:inchikey "JNCSIWAONQTVCF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dbenzahacdne" ;
skos:prefLabel "dibenz(a,h)acridine"@nl .
csc:DIOZMSACJPTBST-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86133 ;
dbo:casNumber "113136-77-9" ;
dbo:formula "C11H9Cl2NO3" ;
dbo:inchi "InChI=1S/C11H9Cl2NO3/c12-5-1-2-9(8(13)3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)" ;
dbo:iupacName "2-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid"@en ;
dbo:pubchem "86133"^^xsd:int ;
dbo:smiles "C1C(C1C(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "DIOZMSACJPTBST-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycnlde" ;
skos:prefLabel "cyclanilide"@nl .
csc:FIGVVZUWCLSUEI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12534 ;
dbo:casNumber "638-67-5" ;
dbo:formula "C23H48" ;
dbo:inchi "InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3" ;
dbo:iupacName "Tricosane"@en ;
dbo:pubchem "12534"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "FIGVVZUWCLSUEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C23a" ;
skos:prefLabel "tricosaan"@nl .
csc:HFDOVSPQVPECFP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:154509 ;
dbo:casNumber "97038-95-4" ;
dbo:formula "C12H6Br4" ;
dbo:inchi "InChI=1S/C12H6Br4/c13-7-4-5-8(11(16)6-7)12-9(14)2-1-3-10(12)15/h1-6H" ;
dbo:iupacName "2,4-dibromo-1-(2,6-dibromophenyl)benzene"@en ;
dbo:pubchem "154509"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Br)C2=C(C=C(C=C2)Br)Br)Br" ;
dbp:inchikey "HFDOVSPQVPECFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE51" ;
skos:prefLabel "2,2',4,6'-tetrabroomdifenylether"@nl .
csc:JCYPECIVGRXBMO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6053 ;
dbo:casNumber "60-11-7" , "55964-95-9" , "77126-00-2" ;
dbo:formula "C14H15N3" ;
dbo:inchi "InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3" ;
dbo:iupacName "N,N-dimethyl-4-phenyldiazenylaniline"@en ;
dbo:pubchem "6053"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2" ;
dbp:inchikey "JCYPECIVGRXBMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4DC1yAoazBen" ;
skos:prefLabel "4-dimethylaminoazobenzeen"@nl .
csc:OHSVLFRHMCKCQY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23929 ;
dbo:casNumber "7439-94-3" , "110123-46-1" ;
dbo:formula "Lu" ;
dbo:inchi "InChI=1S/Lu" ;
dbo:iupacName "LUTETIUM"@en ;
dbo:pubchem "23929"^^xsd:int ;
dbo:smiles "[Lu]" ;
dbp:inchikey "OHSVLFRHMCKCQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Lu" ;
skos:prefLabel "lutetium"@nl .
csc:OKHQKAVALRCESS-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:80119 ;
dbo:casNumber "6022-22-6" ;
dbo:formula "C28H14N2Na2O10S2" ;
dbo:inchi "InChI=1S/C28H16N2O10S2.2Na/c29-23-17(41(35,36)37)9-15(19-21(23)27(33)13-7-3-1-5-11(13)25(19)31)16-10-18(42(38,39)40)24(30)22-20(16)26(32)12-6-2-4-8-14(12)28(22)34;;/h1-10H,29-30H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2" ;
dbo:iupacName "disodium 1-amino-4-(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)-9,10-dioxoanthracene-2-sulfonate"@en ;
dbo:pubchem "80119"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3C4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]" ;
dbp:inchikey "OKHQKAVALRCESS-UHFFFAOYSA-L" ;
skos:altLabel "4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,diNa-zout"@nl ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DAo11btcnn" ;
skos:prefLabel "4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,dina-zout"@nl .
csc:NOOOMJZHMKSKBF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:140995 ;
dbo:casNumber "23069-99-0" ;
dbo:formula "C9H11NO" ;
dbo:inchi "InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)" ;
dbo:iupacName "N-(2-phenylethyl)formamide"@en ;
dbo:pubchem "140995"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCNC=O" ;
dbp:inchikey "NOOOMJZHMKSKBF-UHFFFAOYSA-N" ;
skos:altLabel "n-(2-fenylethyl)formamide"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N2FyC2yfAd" ;
skos:prefLabel "N-(2-fenylethyl)formamide"@nl .
csc:MPBZUKLDHPOCLS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12068 ;
dbo:casNumber "618-87-1" ;
dbo:formula "C6H5N3O4" ;
dbo:inchi "InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2" ;
dbo:iupacName "3,5-Dinitroaniline"@en ;
dbo:pubchem "12068"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N" ;
dbp:inchikey "MPBZUKLDHPOCLS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DNO2An" ;
skos:prefLabel "3,5-dinitroaniline"@nl .
csc:MIWRSUQXSCLDNV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37028 ;
dbo:casNumber "35045-02-4" ;
dbo:formula "C8H13N3OS" ;
dbo:inchi "InChI=1S/C8H13N3OS/c1-8(2,3)5-6(12)9-7(13-4)11-10-5/h1-4H3,(H,9,11,12)" ;
dbo:iupacName "6-tert-butyl-3-methylsulfanyl-2H-1,2,4-triazin-5-one"@en ;
dbo:pubchem "37028"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=NNC(=NC1=O)SC" ;
dbp:inchikey "MIWRSUQXSCLDNV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metbzdAo" ;
skos:prefLabel "metribuzin-desamino"@nl .
csc:IZHZFAQWVKBTSL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62060 ;
dbo:casNumber "7378-10-1" , "53494-70-5" ;
dbo:formula "C12H8Cl6O" ;
dbo:inchi "InChI=1S/C12H8Cl6O/c13-8-9(14)6-2-1-3(7(6)19)4-5(2)11(9,16)12(17,18)10(4,8)15/h2-6,8H,1H2" ;
dbo:iupacName "1,2,2,3,10,11-hexachloropentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-one"@en ;
dbo:pubchem "62060"^^xsd:int ;
dbo:smiles "C1C2C3C4C1C(=O)C2C5(C3(C(C4(C5Cl)Cl)(Cl)Cl)Cl)Cl" ;
dbp:inchikey "IZHZFAQWVKBTSL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001549 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "endrin keton"@nl .
csc:JWSRMCCRAJUMLX-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8529 ;
dbo:casNumber "14047-61-1" , "130-13-2" ;
dbo:formula "C10H8NNaO3S" ;
dbo:inchi "InChI=1S/C10H9NO3S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1" ;
dbo:iupacName "sodium 4-aminonaphthalene-1-sulfonate"@en ;
dbo:pubchem "8529"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N.[Na+]" ;
dbp:inchikey "JWSRMCCRAJUMLX-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003600 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "naftontNa" ;
skos:prefLabel "nafthionaat natriumzout"@nl .
csc:AZDIXEXNLJMBJO-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61088 ;
dbo:casNumber "138-93-2" ;
dbo:formula "C2N2Na2S2" ;
dbo:inchi "InChI=1S/C2H2N2S2.2Na/c3-1-4-2(5)6;;/h(H2,4,5,6);;/q;2*+1/p-2" ;
dbo:iupacName "disodium cyanoiminomethanedithiolate"@en ;
dbo:pubchem "61088"^^xsd:int ;
dbo:smiles "C(#N)N=C([S-])[S-].[Na+].[Na+]" ;
dbp:inchikey "AZDIXEXNLJMBJO-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DNaCNDtoimdC" ;
skos:prefLabel "dinatriumcyanodithioimidocarbonaat"@nl .
csc:AEXMKKGTQYQZCS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11229 ;
dbo:casNumber "562-49-2" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3" ;
dbo:iupacName "3,3-Dimethylpentane"@en ;
dbo:pubchem "11229"^^xsd:int ;
dbo:smiles "CCC(C)(C)CC" ;
dbp:inchikey "AEXMKKGTQYQZCS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1yC5a" ;
skos:prefLabel "3,3-dimethylpentaan"@nl .
csc:GSEJCLTVZPLZKY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7618 ;
dbo:casNumber "36549-55-0" , "64114-46-1" , "36549-54-9" , "105655-27-4" , "102-71-6" , "36659-79-7" , "36549-53-8" , "20261-61-4" , "126068-67-5" ;
dbo:formula "C6H15NO3" ;
dbo:inchi "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" ;
dbo:iupacName "['2-(bis(2-hydroxyethynyl)amino)ethynol', '2-(bis(2-hydroxyethyl)amino)ethanol']"@en ;
dbo:pubchem "7618"^^xsd:int ;
dbo:smiles "C(CO)N(CCO)CCO" ;
dbp:inchikey "GSEJCLTVZPLZKY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001897 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2olAe" ;
skos:prefLabel "triethanolamine"@nl .
csc:YKKYCYQDUUXNLN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37804 ;
dbo:casNumber "37680-66-3" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H" ;
dbo:iupacName "2,4-dichloro-1-(2-chlorophenyl)benzene"@en ;
dbo:pubchem "37804"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "YKKYCYQDUUXNLN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB17" ;
skos:prefLabel "2,2',4-trichloorbifenyl"@nl .
csc:HCWZEPKLWVAEOV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37248 ;
dbo:casNumber "35693-99-3" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H" ;
dbo:iupacName "1,4-dichloro-2-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "37248"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl" ;
dbp:inchikey "HCWZEPKLWVAEOV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,2',5,5'-tetrachloorbifenyl (pcb52)"@nl , "PCB-52"@nl , "pcb-52"@nl , "pcb 52"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35693-99-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB52" ;
skos:prefLabel "2,2',5,5'-tetrachloorbifenyl"@nl ;
vcs:vmmParameterId "1418"^^xsd:int , "441"^^xsd:int .
csc:RRJUYQOFOMFVQS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12464 ;
dbo:casNumber "54686-91-8" , "634-67-3" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2" ;
dbo:iupacName "2,3,4-TRICHLOROANILINE"@en ;
dbo:pubchem "12464"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1N)Cl)Cl)Cl" ;
dbp:inchikey "RRJUYQOFOMFVQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "234TClAn" ;
skos:prefLabel "2,3,4-trichlooraniline"@nl .
csc:LAIUFBWHERIJIH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11519 ;
dbo:casNumber "116502-43-3" , "589-81-1" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3" ;
dbo:iupacName "3-Methylheptane"@en ;
dbo:pubchem "11519"^^xsd:int ;
dbo:smiles "CCCCC(C)CC" ;
dbp:inchikey "LAIUFBWHERIJIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yC7a" ;
skos:prefLabel "3-methylheptaan"@nl .
csc:UGCNRZFAUBJVPT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6327054 ;
dbo:casNumber "13121-70-5" ;
dbo:formula "C18H35OSn" ;
dbo:inchi "InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;" ;
dbo:iupacName "tricyclohexyltin hydrate"@en ;
dbo:pubchem "6327054"^^xsd:int ;
dbo:smiles "C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O" ;
dbp:inchikey "UGCNRZFAUBJVPT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003940 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyhxtn" ;
skos:prefLabel "cyhexatin"@nl .
csc:IROINLKCQGIITA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13450 ;
dbo:casNumber "886-50-0" ;
dbo:formula "C10H19N5S" ;
dbo:inchi "InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "N-tert-butyl-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13450"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)SC)NC(C)(C)C" ;
dbp:inchikey "IROINLKCQGIITA-UHFFFAOYSA-N" ;
skos:altLabel "terbutrin"@nl ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_886-50-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbtn" ;
skos:prefLabel "terbutryn"@nl ;
vcs:vmmParameterId "282"^^xsd:int .
csc:GOXQRTZXKQZDDN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7636 ;
dbo:casNumber "1322-13-0" , "78733-32-1" , "93460-77-6" , "126830-03-3" , "9003-77-4" , "84948-57-2" , "126830-02-2" , "103-11-7" ;
dbo:formula "C11H20O2" ;
dbo:inchi "InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3" ;
dbo:iupacName "2-ethylhexyl prop-2-enoate"@en ;
dbo:pubchem "7636"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C=C" ;
dbp:inchikey "GOXQRTZXKQZDDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6yaclt" ;
skos:prefLabel "2-ethylhexylacrylaat"@nl .
csc:HOERQTQCTISLFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34475 ;
dbo:casNumber "29104-30-1" ;
dbo:formula "C18H18ClNO5" ;
dbo:inchi "InChI=1S/C18H18ClNO5/c1-4-20(25-18(22)12-8-6-5-7-9-12)17(21)15-14(23-2)11-10-13(19)16(15)24-3/h5-11H,4H2,1-3H3" ;
dbo:iupacName "[(3-chloro-2,6-dimethoxybenzoyl)-ethylamino] benzoate"@en ;
dbo:pubchem "34475"^^xsd:int ;
dbo:smiles "CCN(C(=O)C1=C(C=CC(=C1OC)Cl)OC)OC(=O)C2=CC=CC=C2" ;
dbp:inchikey "HOERQTQCTISLFR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzxmt" ;
skos:prefLabel "benzoximaat"@nl .
csc:QCIFLGSATTWUQJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12165 ;
dbo:casNumber "623-08-5" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3" ;
dbo:iupacName "N,4-DIMETHYLANILINE"@en ;
dbo:pubchem "12165"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)NC" ;
dbp:inchikey "QCIFLGSATTWUQJ-UHFFFAOYSA-N" ;
skos:altLabel "N,4-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N4DC1yAn" ;
skos:prefLabel "n,4-dimethylaniline"@nl .
csc:XJWSAJYUBXQQDR-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14249 ;
dbo:casNumber "1119-94-4" , "157929-06-1" ;
dbo:formula "C15H34BrN" ;
dbo:inchi "InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dodecyl-trimethylazanium bromide"@en ;
dbo:pubchem "14249"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)C.[Br-]" ;
dbp:inchikey "XJWSAJYUBXQQDR-UHFFFAOYSA-M" ;
skos:altLabel "dodecyltrimethylammonium bromide"@nl ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12yTC1yNH4B" ;
skos:prefLabel "dodecyltrimethylammonium"@nl .
csc:PUFGCEQWYLJYNJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17082 ;
dbo:casNumber "2432-90-8" ;
dbo:formula "C32H54O4" ;
dbo:inchi "InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3" ;
dbo:iupacName "didodecyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "17082"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC" ;
dbp:inchikey "PUFGCEQWYLJYNJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC12yFt" ;
skos:prefLabel "didodecylftalaat"@nl .
csc:QFMDFTQOJHFVNR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6295 ;
dbo:casNumber "72-56-0" ;
dbo:formula "C18H20Cl2" ;
dbo:inchi "InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3" ;
dbo:iupacName "1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene"@en ;
dbo:pubchem "6295"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl" ;
dbp:inchikey "QFMDFTQOJHFVNR-UHFFFAOYSA-N" ;
skos:altLabel "perthane"@nl ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pertn" ;
skos:prefLabel "perthaan"@nl .
csc:WMWTYOKRWGGJOA-ZHLGSTKJSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:54580 ;
dbo:casNumber "80474-14-2" ;
dbo:formula "C25H31F3O5S" ;
dbo:inchi "InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16?,18+,19+,22+,23+,24+,25+/m1/s1" ;
dbo:iupacName "[(6S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate"@en ;
dbo:pubchem "54580"^^xsd:int ;
dbo:smiles "CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF" ;
dbp:inchikey "WMWTYOKRWGGJOA-ZHLGSTKJSA-N" ;
skos:broader csc:CHEMONTID_0001691 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutcsppont" ;
skos:prefLabel "fluticasonpropionaat"@nl .
csc:MWKFXSUHUHTGQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8174 ;
dbo:casNumber "70084-71-8" , "85566-12-7" , "36729-58-5" , "118374-94-0" , "66455-17-2" , "112-30-1" ;
dbo:formula "C10H22O" ;
dbo:inchi "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" ;
dbo:iupacName "DECAN-1-OL"@en ;
dbo:pubchem "8174"^^xsd:int ;
dbo:smiles "CCCCCCCCCCO" ;
dbp:inchikey "MWKFXSUHUHTGQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C10ol" ;
skos:prefLabel "1-decanol"@nl .
csc:XZWYZXLIPXDOLR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4091 ;
dbo:casNumber "4931-70-8" , "657-24-9" ;
dbo:formula "C4H11N5" ;
dbo:inchi "InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)" ;
dbo:iupacName "3-(diaminomethylidene)-1,1-dimethylguanidine"@en ;
dbo:pubchem "4091"^^xsd:int ;
dbo:smiles "CN(C)C(=N)N=C(N)N" ;
dbp:inchikey "XZWYZXLIPXDOLR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000474 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metfmne" ;
skos:prefLabel "metformine"@nl .
csc:KEMQGTRYUADPNZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10465 ;
dbo:casNumber "39390-60-8" , "8034-56-8" , "8034-58-0" , "52051-63-5" , "1338-46-1" , "8043-36-5" , "506-12-7" , "68424-37-3" , "28829-31-4" , "45237-52-3" , "8000-11-1" , "176435-16-8" , "67701-03-5" , "63399-94-0" , "7722-21-6" , "37231-04-2" , "67255-22-5" , "45237-51-2" , "8034-57-9" ;
dbo:formula "C17H34O2" ;
dbo:inchi "InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)" ;
dbo:iupacName "Heptadecanoic acid"@en ;
dbo:pubchem "10465"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "KEMQGTRYUADPNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C17azr" ;
skos:prefLabel "heptadecaanzuur"@nl .
csc:STNJBCKSHOAVAJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6562 ;
dbo:casNumber "78-85-3" ;
dbo:formula "C4H6O" ;
dbo:inchi "InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3" ;
dbo:iupacName "2-methylprop-2-enal"@en ;
dbo:pubchem "6562"^^xsd:int ;
dbo:smiles "CC(=C)C=O" ;
dbp:inchikey "STNJBCKSHOAVAJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002436 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cy12C3eal" ;
skos:prefLabel "2-methyl-2 propenal"@nl .
csc:SGNXVBOIDPPRJJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:431734 ;
dbo:casNumber "64285-06-9" ;
dbo:formula "C10H15NO" ;
dbo:inchi "InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3" ;
dbo:iupacName "1-(9-azabicyclo[4.2.1]non-4-en-5-yl)ethanone"@en ;
dbo:pubchem "431734"^^xsd:int ;
dbo:smiles "CC(=O)C1=CCCC2CCC1N2" ;
dbp:inchikey "SGNXVBOIDPPRJJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001465 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "antxna" ;
skos:prefLabel "anatoxine-a"@nl .
csc:QPUYECUOLPXSFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7002 ;
dbo:casNumber "90-12-0" , "1321-94-4" , "78900-94-4" ;
dbo:formula "C11H10" ;
dbo:inchi "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" ;
dbo:iupacName "1-Methylnaphthalene"@en ;
dbo:pubchem "7002"^^xsd:int ;
dbo:smiles "CC1=CC=CC2=CC=CC=C12" ;
dbp:inchikey "QPUYECUOLPXSFR-UHFFFAOYSA-N" ;
skos:altLabel "methylnaftaleen"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1yNaf" , "C1yNaf" ;
skos:prefLabel "1-methylnaftaleen"@nl .
csc:HDHLIWCXDDZUFH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91590 ;
dbo:casNumber "28159-98-0" ;
dbo:formula "C11H19N5S" ;
dbo:inchi "InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "N-tert-butyl-N'-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "91590"^^xsd:int ;
dbo:smiles "CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC" ;
dbp:inchikey "HDHLIWCXDDZUFH-UHFFFAOYSA-N" ;
skos:altLabel "cybutryne"@nl , "cybutrine"@nl ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_28159-98-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "irgrl" ;
skos:prefLabel "irgarol"@nl ;
vcs:vmmParameterId "1506"^^xsd:int .
csc:CVZDIUZSWUDGOP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:147017 ;
dbo:casNumber "26542-23-4" ;
dbo:formula "C4H3Cl2NOS" ;
dbo:inchi "InChI=1S/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3" ;
dbo:iupacName "4,5-dichloro-2-methyl-1,2-thiazol-3-one"@en ;
dbo:pubchem "147017"^^xsd:int ;
dbo:smiles "CN1C(=O)C(=C(S1)Cl)Cl" ;
dbp:inchikey "CVZDIUZSWUDGOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "45DCl2C1y4it" ;
skos:prefLabel "4,5-dichloor-2-methyl-4-isothiazoline-3-on"@nl .
csc:HPYNZHMRTTWQTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11420 ;
dbo:casNumber "27175-64-0" , "583-61-9" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3" ;
dbo:iupacName "2,3-Dimethylpyridine"@en ;
dbo:pubchem "11420"^^xsd:int ;
dbo:smiles "CC1=C(N=CC=C1)C" ;
dbp:inchikey "HPYNZHMRTTWQTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yprdne" ;
skos:prefLabel "2,3-dimethylpyridine"@nl .
csc:YKSNLCVSTHTHJA-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25553 ;
dbo:casNumber "301-03-1" , "12427-38-2" , "11004-49-2" , "28355-56-8" , "12125-33-6" , "20316-06-7" ;
dbo:formula "C4H6MnN2S4" ;
dbo:inchi "InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2" ;
dbo:iupacName "manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "25553"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].[Mn+2]" ;
dbp:inchikey "YKSNLCVSTHTHJA-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0004177 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "manb" ;
skos:prefLabel "maneb"@nl .
csc:WVYWICLMDOOCFB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7910 ;
dbo:casNumber "40747-85-1" , "108-11-2" , "72847-31-5" , "20281-88-3" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" ;
dbo:iupacName "4-Methylpentan-2-ol"@en ;
dbo:pubchem "7910"^^xsd:int ;
dbo:smiles "CC(C)CC(C)O" ;
dbp:inchikey "WVYWICLMDOOCFB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y2C5ol" ;
skos:prefLabel "4-methyl-2-pentanol"@nl .
csc:LUBCGHUOCJOIJA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61105 ;
dbo:casNumber "354-14-3" , "134237-32-4" ;
dbo:formula "C2HCl4F" ;
dbo:inchi "InChI=1S/C2HCl4F/c3-1(4)2(5,6)7/h1H" ;
dbo:iupacName "1,1,2,2-Tetrachloro-1-fluoroethane"@en ;
dbo:pubchem "61105"^^xsd:int ;
dbo:smiles "C(C(F)(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "LUBCGHUOCJOIJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK121" ;
skos:prefLabel "1,1,2,2-tetrachloor-1-fluorethaan"@nl .
csc:FOLPKOWCPVGUCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25982 ;
dbo:casNumber "13429-07-7" , "1321-21-7" ;
dbo:formula "C7H16O3" ;
dbo:inchi "InChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3" ;
dbo:iupacName "1-(2-Methoxypropoxy)propan-2-ol"@en ;
dbo:pubchem "25982"^^xsd:int ;
dbo:smiles "CC(COCC(C)OC)O" ;
dbp:inchikey "FOLPKOWCPVGUCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C1oxC3ox2C" ;
skos:prefLabel "1-(2-methoxypropoxy)-2-propanol"@nl .
csc:MBGGFXOXUIDRJD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31233 ;
dbo:casNumber "122-94-1" ;
dbo:formula "C10H14O2" ;
dbo:inchi "InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3" ;
dbo:iupacName "4-Butoxyphenol"@en ;
dbo:pubchem "31233"^^xsd:int ;
dbo:smiles "CCCCOC1=CC=C(C=C1)O" ;
dbp:inchikey "MBGGFXOXUIDRJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004628 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C4oxFol" ;
skos:prefLabel "4-butoxyfenol"@nl .
csc:PZIMIYVOZBTARW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6828 ;
dbo:casNumber "85-98-3" ;
dbo:formula "C17H20N2O" ;
dbo:inchi "InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3" ;
dbo:iupacName "1,3-diethyl-1,3-di(phenyl)urea"@en ;
dbo:pubchem "6828"^^xsd:int ;
dbo:smiles "CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2" ;
dbp:inchikey "PZIMIYVOZBTARW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DC2y13Dfyu" ;
skos:prefLabel "1,3-diethyl-1,3-difenylureum"@nl .
csc:NTDQQZYCCIDJRK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15730 ;
dbo:casNumber "1806-26-4" , "71902-25-5" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3" ;
dbo:iupacName "4-OCTYLPHENOL"@en ;
dbo:pubchem "15730"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=CC=C(C=C1)O" ;
dbp:inchikey "NTDQQZYCCIDJRK-UHFFFAOYSA-N" ;
skos:altLabel "octylfenol"@nl ;
skos:broader csc:CHEMONTID_0004646 ;
skos:exactMatch wise:CAS_1806-26-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C8yFol" ;
skos:prefLabel "4-n-octylfenol"@nl ;
vcs:vmmParameterId "827"^^xsd:int .
csc:LFZGYTBWUHCAKF-DCNJEFSFSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:71476 ;
dbo:casNumber "154-21-2" , "7179-49-9" ;
dbo:formula "C18H37ClN2O7S" ;
dbo:inchi "InChI=1S/C18H34N2O6S.ClH.H2O/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H;1H2/t9-,10-,11+,12-,13+,14-,15-,16-,18-;;/m1../s1" ;
dbo:iupacName "(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrate hydrochloride"@en ;
dbo:pubchem "71476"^^xsd:int ;
dbo:smiles "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O.O.Cl" ;
dbp:inchikey "LFZGYTBWUHCAKF-DCNJEFSFSA-N" ;
skos:broader csc:CHEMONTID_0004322 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lincmcne" ;
skos:prefLabel "lincomycine"@nl .
csc:GUVRBAGPIYLISA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23956 ;
dbo:casNumber "7440-25-7" ;
dbo:formula "Ta" ;
dbo:inchi "InChI=1S/Ta" ;
dbo:iupacName "TANTALUM"@en ;
dbo:pubchem "23956"^^xsd:int ;
dbo:smiles "[Ta]" ;
dbp:inchikey "GUVRBAGPIYLISA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ta" ;
skos:prefLabel "tantalium"@nl .
csc:YASAKCUCGLMORW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77999 ;
dbo:casNumber "122320-73-4" ;
dbo:formula "C18H19N3O3S" ;
dbo:inchi "InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)" ;
dbo:iupacName "5-[[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione"@en ;
dbo:pubchem "77999"^^xsd:int ;
dbo:smiles "CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3" ;
dbp:inchikey "YASAKCUCGLMORW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rosgtzn" ;
skos:prefLabel "rosiglitazon"@nl .
csc:GTDQGKWDWVUKTI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11086 ;
dbo:casNumber "551-93-9" , "27941-88-4" ;
dbo:formula "C8H9NO" ;
dbo:inchi "InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3" ;
dbo:iupacName "1-(2-aminophenyl)ethanone"@en ;
dbo:pubchem "11086"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=CC=C1N" ;
dbp:inchikey "GTDQGKWDWVUKTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Aoactfnn" ;
skos:prefLabel "2-aminoacetofenon"@nl .
csc:RJBJMKAMQIOAML-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16589 ;
dbo:casNumber "2179-25-1" ;
dbo:formula "C11H15NO4S" ;
dbo:inchi "InChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "16589"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC" ;
dbp:inchikey "RJBJMKAMQIOAML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metocbsfn" ;
skos:prefLabel "methiocarbsulfon"@nl .
csc:IRLYGRLEBKCYPY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11868 ;
dbo:casNumber "81789-92-6" , "609-54-1" ;
dbo:formula "C8H10O3S" ;
dbo:inchi "InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)" ;
dbo:iupacName "2,5-DIMETHYLBENZENESULFONIC ACID"@en ;
dbo:pubchem "11868"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)S(=O)(=O)O" ;
dbp:inchikey "IRLYGRLEBKCYPY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1yBensfz" ;
skos:prefLabel "2,5-dimethylbenzeenesulfonzuur"@nl .
csc:XUIMIQQOPSSXEZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5461123 ;
dbo:casNumber "72516-03-1" , "7803-62-5" , "152284-21-4" , "72516-02-0" , "71536-23-7" , "90337-93-2" , "157383-37-4" , "72516-01-9" , "160371-18-6" , "7440-21-3" , "17375-03-0" ;
dbo:formula "Si" ;
dbo:inchi "InChI=1S/Si" ;
dbo:iupacName "Silicon"@en ;
dbo:pubchem "5461123"^^xsd:int ;
dbo:smiles "[Si]" ;
dbp:inchikey "XUIMIQQOPSSXEZ-UHFFFAOYSA-N" ;
skos:altLabel "silicium"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:exactMatch wise:CAS_7440-21-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Si" ;
skos:prefLabel "silicium, opgelost"@nl ;
vcs:vmmParameterId "1083"^^xsd:int , "1082"^^xsd:int , "1967"^^xsd:int , "184"^^xsd:int .
csc:VJYFKVYYMZPMAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3289 ;
dbo:casNumber "13194-48-4" ;
dbo:formula "C8H19O2PS2" ;
dbo:inchi "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" ;
dbo:iupacName "1-(ethoxy-propylsulfanylphosphoryl)sulfanylpropane"@en ;
dbo:pubchem "3289"^^xsd:int ;
dbo:smiles "CCCSP(=O)(OCC)SCCC" ;
dbp:inchikey "VJYFKVYYMZPMAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:exactMatch wise:CAS_13194-48-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etpfs" ;
skos:prefLabel "ethoprofos"@nl ;
vcs:vmmParameterId "416"^^xsd:int .
csc:XEMRAKSQROQPBR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7367 ;
dbo:casNumber "61878-57-7" , "26601-65-0" , "98-07-7" , "30583-33-6" ;
dbo:formula "C7H5Cl3" ;
dbo:inchi "InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "Trichloromethylbenzene"@en ;
dbo:pubchem "7367"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(Cl)(Cl)Cl" ;
dbp:inchikey "XEMRAKSQROQPBR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "111TClTol" ;
skos:prefLabel "1,1,1-trichloortolueen"@nl .
csc:VTHJTEIRLNZDEV-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14791 ;
dbo:casNumber "12195-86-7" , "13760-51-5" , "1309-42-8" , "1317-43-7" ;
dbo:formula "H2MgO2" ;
dbo:inchi "InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2" ;
dbo:iupacName "Magnesium dihydroxide"@en ;
dbo:pubchem "14791"^^xsd:int ;
dbo:smiles "[OH-].[OH-].[Mg+2]" ;
dbp:inchikey "VTHJTEIRLNZDEV-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MgOH2" ;
skos:prefLabel "magnesiumhydroxide"@nl .
csc:YCOXTKKNXUZSKD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7249 ;
dbo:casNumber "95-65-8" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" ;
dbo:iupacName "3,4-Dimethylphenol"@en ;
dbo:pubchem "7249"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)O)C" ;
dbp:inchikey "YCOXTKKNXUZSKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001275 ;
skos:exactMatch wise:CAS_95-65-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yFol" ;
skos:prefLabel "3,4-dimethylfenol"@nl ;
vcs:vmmParameterId "716"^^xsd:int .
csc:CFXQEHVMCRXUSD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7285 ;
dbo:casNumber "96-18-4" ;
dbo:formula "C3H5Cl3" ;
dbo:inchi "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2" ;
dbo:iupacName "1,2,3-Trichloropropane"@en ;
dbo:pubchem "7285"^^xsd:int ;
dbo:smiles "C(C(CCl)Cl)Cl" ;
dbp:inchikey "CFXQEHVMCRXUSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_96-18-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TClC3a" ;
skos:prefLabel "1,2,3-trichloorpropaan"@nl ;
vcs:vmmParameterId "315"^^xsd:int .
csc:FMZXNVLFJHCSAF-DNVCBOLYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:21743 ;
dbo:casNumber "5575-21-3" ;
dbo:formula "C20H18N4O5S2" ;
dbo:inchi "InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1" ;
dbo:iupacName "(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "21743"^^xsd:int ;
dbo:smiles "C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N" ;
dbp:inchikey "FMZXNVLFJHCSAF-DNVCBOLYSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cefalonium"@nl .
csc:XSFJVAJPIHIPKU-XWCQMRHXSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:82153 ;
dbo:casNumber "3385-03-3" ;
dbo:formula "C24H31FO6" ;
dbo:inchi "InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1" ;
dbo:iupacName "(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one"@en ;
dbo:pubchem "82153"^^xsd:int ;
dbo:smiles "CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C" ;
dbp:inchikey "XSFJVAJPIHIPKU-XWCQMRHXSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flunslde" ;
skos:prefLabel "flunisolide"@nl .
csc:XOFYZVNMUHMLCC-ZPOLXVRWSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5865 ;
dbo:casNumber "53-03-2" , "68-59-7" ;
dbo:formula "C21H26O5" ;
dbo:inchi "InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione"@en ;
dbo:pubchem "5865"^^xsd:int ;
dbo:smiles "CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C" ;
dbp:inchikey "XOFYZVNMUHMLCC-ZPOLXVRWSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prednsn" ;
skos:prefLabel "prednison"@nl .
csc:FQKUGOMFVDPBIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:73675 ;
dbo:casNumber "96827-34-8" , "85509-19-9" ;
dbo:formula "C16H15F2N3Si" ;
dbo:inchi "InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3" ;
dbo:iupacName "bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane"@en ;
dbo:pubchem "73675"^^xsd:int ;
dbo:smiles "C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F" ;
dbp:inchikey "FQKUGOMFVDPBIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluslzl" ;
skos:prefLabel "flusilazool"@nl .
csc:NPAWGLOPXKCTCV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17630 ;
dbo:casNumber "2719-63-3" ;
dbo:formula "C18H30" ;
dbo:inchi "InChI=1S/C18H30/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3" ;
dbo:iupacName "dodecan-5-ylbenzene"@en ;
dbo:pubchem "17630"^^xsd:int ;
dbo:smiles "CCCCCCCC(CCCC)C1=CC=CC=C1" ;
dbp:inchikey "NPAWGLOPXKCTCV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C4yC8yBen" ;
skos:prefLabel "(1-butyloctyl)-benzeen"@nl .
csc:KLIHYVJAYWCEDM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9176 ;
dbo:casNumber "224-41-9" ;
dbo:formula "C22H14" ;
dbo:inchi "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-18-12-10-16-6-2-4-8-20(16)22(18)14-21(17)19/h1-14H" ;
dbo:iupacName "pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene"@en ;
dbo:pubchem "9176"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C5=CC=CC=C5C=C4" ;
dbp:inchikey "KLIHYVJAYWCEDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBajAnt" ;
skos:prefLabel "dibenzo(a,j)antraceen"@nl .
csc:PBGKNXWGYQPUJK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6979 ;
dbo:casNumber "89-63-4" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2" ;
dbo:iupacName "4-Chloro-2-nitroaniline"@en ;
dbo:pubchem "6979"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)[N+](=O)[O-])N" ;
dbp:inchikey "PBGKNXWGYQPUJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_89-63-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2NO2An" ;
skos:prefLabel "4-chloor-2-nitroaniline"@nl ;
vcs:vmmParameterId "361"^^xsd:int .
csc:AXCZMVOFGPJBDE-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14777 ;
dbo:casNumber "1305-62-0" , "7719-01-9" , "1333-29-5" ;
dbo:formula "CaH2O2" ;
dbo:inchi "InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2" ;
dbo:iupacName "Calcium dihydroxide"@en ;
dbo:pubchem "14777"^^xsd:int ;
dbo:smiles "[OH-].[OH-].[Ca+2]" ;
dbp:inchikey "AXCZMVOFGPJBDE-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaOH2" ;
skos:prefLabel "calciumdihydroxide"@nl .
csc:ZTMKADLOSYKWCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16559 ;
dbo:casNumber "2164-08-1" ;
dbo:formula "C13H18N2O2" ;
dbo:inchi "InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" ;
dbo:iupacName "3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[e]pyrimidine-2,4-dione"@en ;
dbo:pubchem "16559"^^xsd:int ;
dbo:smiles "C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O" ;
dbp:inchikey "ZTMKADLOSYKWCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004161 ;
skos:exactMatch wise:CAS_2164-08-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lencl" ;
skos:prefLabel "lenacil"@nl ;
vcs:vmmParameterId "1084"^^xsd:int .
csc:ZRKWMRDKSOPRRS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12699 ;
dbo:casNumber "684-93-5" , "28606-00-0" , "820-60-0" , "126742-50-5" ;
dbo:formula "C2H5N3O2" ;
dbo:inchi "InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)" ;
dbo:iupacName "1-Methyl-1-nitrosourea"@en ;
dbo:pubchem "12699"^^xsd:int ;
dbo:smiles "CN(C(=O)N)N=O" ;
dbp:inchikey "ZRKWMRDKSOPRRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002444 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yNOurm" ;
skos:prefLabel "methylnitrosoureum"@nl .
csc:WEHWNAOGRSTTBQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8902 ;
dbo:casNumber "142-84-7" ;
dbo:formula "C6H15N" ;
dbo:inchi "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" ;
dbo:iupacName "N-propylpropan-1-amine"@en ;
dbo:pubchem "8902"^^xsd:int ;
dbo:smiles "CCCNCCC" ;
dbp:inchikey "WEHWNAOGRSTTBQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC3yAe" ;
skos:prefLabel "dipropylamine"@nl .
csc:TZIHFWKZFHZASV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7865 ;
dbo:casNumber "107-31-3" ;
dbo:formula "C2H4O2" ;
dbo:inchi "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" ;
dbo:iupacName "METHYL FORMATE"@en ;
dbo:pubchem "7865"^^xsd:int ;
dbo:smiles "COC=O" ;
dbp:inchikey "TZIHFWKZFHZASV-UHFFFAOYSA-N" ;
skos:altLabel "methylformaat"@nl , "methylformiaat"@nl ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yfmt" ;
skos:prefLabel "methylformiaat "@nl .
csc:DUFVKSUJRWYZQP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91758 ;
dbo:casNumber "98886-44-3" ;
dbo:formula "C9H18NO3PS2" ;
dbo:inchi "InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3" ;
dbo:iupacName "3-(butan-2-ylsulfanyl-ethoxyphosphoryl)-1,3-thiazolidin-2-one"@en ;
dbo:pubchem "91758"^^xsd:int ;
dbo:smiles "CCC(C)SP(=O)(N1CCSC1=O)OCC" ;
dbp:inchikey "DUFVKSUJRWYZQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000226 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fostazt" ;
skos:prefLabel "fosthiazaat"@nl .
csc:GMBRUAIJEFRHFQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033865 ;
dbo:casNumber "103112-35-2" ;
dbo:formula "C12H8Cl5N3O2" ;
dbo:inchi "InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3" ;
dbo:iupacName "ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate"@en ;
dbo:pubchem "3033865"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "GMBRUAIJEFRHFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fecrzlC2y" ;
skos:prefLabel "fenchlorazool-ethyl"@nl .
csc:AWJUIBRHMBBTKR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8405 ;
dbo:casNumber "119-65-3" ;
dbo:formula "C9H7N" ;
dbo:inchi "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" ;
dbo:iupacName "Isoquinoline"@en ;
dbo:pubchem "8405"^^xsd:int ;
dbo:smiles "C1=CC=C2C=NC=CC2=C1" ;
dbp:inchikey "AWJUIBRHMBBTKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002566 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iqnlne" ;
skos:prefLabel "isoquinoline"@nl .
csc:VJHCJDRQFCCTHL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24748 ;
dbo:casNumber "204336-41-4" , "191616-54-3" , "196886-89-2" , "9000-11-7" , "177317-30-5" ;
dbo:formula "C8H16O8" ;
dbo:inchi "InChI=1S/C6H12O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H,3,4)" ;
dbo:iupacName "acetic acid; 2,3,4,5,6-pentahydroxyhexanal"@en ;
dbo:pubchem "24748"^^xsd:int ;
dbo:smiles "CC(=O)O.C(C(C(C(C(C=O)O)O)O)O)O" ;
dbp:inchikey "VJHCJDRQFCCTHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001498 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CMC" ;
skos:prefLabel "carboxymethylcellulose (CMC)"@nl .
csc:LZDKZFUFMNSQCJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12375 ;
dbo:casNumber "629-14-1" ;
dbo:formula "C6H14O2" ;
dbo:inchi "InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3" ;
dbo:iupacName "1,2-Diethoxyethane"@en ;
dbo:pubchem "12375"^^xsd:int ;
dbo:smiles "CCOCCOCC" ;
dbp:inchikey "LZDKZFUFMNSQCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DC2oxC2a" ;
skos:prefLabel "1,2-diethoxyethaan (diethylglycol)"@nl .
csc:MQCPOLNSJCWPGT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:75575 ;
dbo:casNumber "2467-02-9" ;
dbo:formula "C13H12O2" ;
dbo:inchi "InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2" ;
dbo:iupacName "2-[(2-hydroxyphenyl)methyl]phenol"@en ;
dbo:pubchem "75575"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)CC2=CC=CC=C2O)O" ;
dbp:inchikey "MQCPOLNSJCWPGT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisFolF" ;
skos:prefLabel "bisfenol-F"@nl .
csc:DQZCVNGCTZLGAQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16554 ;
dbo:casNumber "2163-69-1" ;
dbo:formula "C11H22N2O" ;
dbo:inchi "InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)" ;
dbo:iupacName "3-Cyclooctyl-1,1-dimethylurea"@en ;
dbo:pubchem "16554"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1CCCCCCC1" ;
dbp:inchikey "DQZCVNGCTZLGAQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycrn" ;
skos:prefLabel "cycluron"@nl .
csc:AFDRCEOKCOUICI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:52915299 ;
dbo:casNumber "919005-14-4" ;
dbo:formula "C7H2F12O4" ;
dbo:inchi "InChI=1S/C7H2F12O4/c8-1(3(9,10)2(20)21)22-5(13,14)4(11,12)6(15,16)23-7(17,18)19/h1H,(H,20,21)" ;
dbo:iupacName "2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid"@en ;
dbo:pubchem "52915299"^^xsd:int ;
dbo:smiles "C(C(C(=O)O)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F" ;
dbp:inchikey "AFDRCEOKCOUICI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ADONA" ;
skos:prefLabel "4,8-dioxa-3H-perfluornonaanzuur"@nl .
csc:KQCMTOWTPBNWDB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11123 ;
dbo:casNumber "554-00-7" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2" ;
dbo:iupacName "2,4-Dichloroaniline"@en ;
dbo:pubchem "11123"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)N" ;
dbp:inchikey "KQCMTOWTPBNWDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_554-00-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClAn" ;
skos:prefLabel "2,4-dichlooraniline"@nl ;
vcs:vmmParameterId "44"^^xsd:int .
csc:NZNRRXXETLSZRO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10372 ;
dbo:casNumber "500-28-7" ;
dbo:formula "C8H9ClNO5PS" ;
dbo:inchi "InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3" ;
dbo:iupacName "(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "10372"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl" ;
dbp:inchikey "NZNRRXXETLSZRO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clton" ;
skos:prefLabel "chloorthion"@nl .
csc:IOVCWXUNBOPUCH-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:946 ;
dbo:casNumber "14797-65-0" , "12183-96-9" , "114466-53-4" ;
dbo:formula "NO2-" ;
dbo:inchi "InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1" ;
dbo:iupacName "NITRITE"@en ;
dbo:pubchem "946"^^xsd:int ;
dbo:smiles "N(=O)[O-]" ;
dbp:inchikey "IOVCWXUNBOPUCH-UHFFFAOYSA-M" ;
dct:isReferencedBy co:CMA_2_IV_4 , co:WAC_III_C_002 ;
skos:broader csc:CHEMONTID_0001061 ;
skos:exactMatch wise:CAS_14797-65-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO2" ;
skos:prefLabel "nitriet"@nl ;
vcs:vmmParameterId "10"^^xsd:int , "9"^^xsd:int .
csc:PZOIECHFNQBYRT-YRNVUSSQSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5491760 ;
dbo:casNumber "39184-59-3" ;
dbo:formula "C9H18N2O4S" ;
dbo:inchi "InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+" ;
dbo:iupacName "[(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "5491760"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=NOC(=O)NC)CS(=O)(=O)C" ;
dbp:inchikey "PZOIECHFNQBYRT-YRNVUSSQSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnsfn" ;
skos:prefLabel "thiofanox-sulfon"@nl .
csc:GWHJZXXIDMPWGX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'trimethylbenzeen'"@nl ;
rdfs:seeAlso compound:7247 ;
dbo:casNumber "95-63-6" , "95-36-3" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" ;
dbo:iupacName "1,2,4-Trimethylbenzene"@en ;
dbo:pubchem "7247"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)C" ;
dbp:inchikey "GWHJZXXIDMPWGX-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_001 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_95-63-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "124TC1yBen" ;
skos:prefLabel "1,2,4-trimethylbenzeen"@nl ;
vcs:vmmParameterId "539"^^xsd:int .
csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:42540 ;
dbo:casNumber "57653-85-7" ;
dbo:formula "C12H2Cl6O2" ;
dbo:inchi "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H" ;
dbo:iupacName "1,2,3,6,7,8-hexachlorooxanthrene"@en ;
dbo:pubchem "42540"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=CC(=C(C(=C3O2)Cl)Cl)Cl" ;
dbp:inchikey "YCLUIPQDHHPDJJ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel " 1,2,3,6,7,8-hexachloordibenzodioxine"@nl , "1,2,3,6,7,8-hexachloordibenzodioxine (hxcdd)"@nl , "1,2,3,6,7,8-hexachloordibenzodioxine"@nl , "1,2,3,6,7,8-hexachloordibenzo-para-dioxine"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_57653-85-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD67" ;
skos:prefLabel "1,2,3,6,7,8-hexachloordibenzo-p-dioxine"@nl ;
vcs:vmmParameterId "1249"^^xsd:int .
csc:GBAWQJNHVWMTLU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62773 ;
dbo:casNumber "23560-59-0" , "77107-77-8" ;
dbo:formula "C9H12ClO4P" ;
dbo:inchi "InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3" ;
dbo:iupacName "(6-chloro-7-bicyclo[3.2.0]hepta-3,6-dienyl) dimethyl phosphate"@en ;
dbo:pubchem "62773"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC1=C(C2C1CC=C2)Cl" ;
dbp:inchikey "GBAWQJNHVWMTLU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:exactMatch wise:CAS_23560-59-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "heptnfs" ;
skos:prefLabel "heptenofos"@nl ;
vcs:vmmParameterId "730"^^xsd:int .
csc:ZLBGSRMUSVULIE-SJRQICMCSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6436638 ;
dbo:casNumber "51596-10-2" ;
dbo:formula "C31H44O7" ;
dbo:inchi "InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1" ;
dbo:iupacName "(1R,4S,5'S,6R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one"@en ;
dbo:pubchem "6436638"^^xsd:int ;
dbo:smiles "CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)C)OC1C" ;
dbp:inchikey "ZLBGSRMUSVULIE-SJRQICMCSA-N" ;
skos:altLabel "milbemycin a3"@nl ;
skos:broader csc:CHEMONTID_0002902 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "milbmcA3" ;
skos:prefLabel "milbemycin A3"@nl .
csc:QMGVPVSNSZLJIA-FVWCLLPLSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:441071 ;
dbo:casNumber "57-24-9" ;
dbo:formula "C21H22N2O2" ;
dbo:inchi "InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1" ;
dbo:iupacName "(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one"@en ;
dbo:pubchem "441071"^^xsd:int ;
dbo:smiles "C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75" ;
dbp:inchikey "QMGVPVSNSZLJIA-FVWCLLPLSA-N" ;
skos:broader csc:CHEMONTID_0002749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "strychnne" ;
skos:prefLabel "strychnine"@nl .
csc:JCXGWMGPZLAOME-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6335818 ;
dbo:casNumber "13982-38-2" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1-2" ;
dbo:iupacName "bismuth-207"@en ;
dbo:pubchem "6335818"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "JCXGWMGPZLAOME-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi207" ;
skos:prefLabel "bismuth 207"@nl .
csc:IBDIPBWIXJRJQM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3057998 ;
dbo:casNumber "82801-81-8" , "74341-78-9" ;
dbo:formula "C12H18ClNO2" ;
dbo:inchi "InChI=1S/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H" ;
dbo:iupacName "1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine hydrochloride"@en ;
dbo:pubchem "3057998"^^xsd:int ;
dbo:smiles "CCNC(C)CC1=CC2=C(C=C1)OCO2.Cl" ;
dbp:inchikey "IBDIPBWIXJRJQM-UHFFFAOYSA-N" ;
skos:altLabel "3,4-Methyleendioxyethamfetamine"@nl ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34C1yeDoxeaf" ;
skos:prefLabel "3,4-methyleendioxyethamfetamine"@nl .
csc:KBPCCVWUMVGXGF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14069 ;
dbo:casNumber "1072-05-5" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3" ;
dbo:iupacName "2,6-DIMETHYLHEPTANE"@en ;
dbo:pubchem "14069"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C" ;
dbp:inchikey "KBPCCVWUMVGXGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1yC7a" ;
skos:prefLabel "2,6-dimethylheptaan"@nl .
csc:ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6589 ;
dbo:casNumber "79-29-8" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" ;
dbo:iupacName "2,3-Dimethylbutane"@en ;
dbo:pubchem "6589"^^xsd:int ;
dbo:smiles "CC(C)C(C)C" ;
dbp:inchikey "ZFFMLCVRJBZUDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yC4a" ;
skos:prefLabel "2,3-dimethylbutaan"@nl .
csc:RAPBNVDSDCTNRC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10522 ;
dbo:casNumber "510-15-6" ;
dbo:formula "C16H14Cl2O3" ;
dbo:inchi "InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3" ;
dbo:iupacName "ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate"@en ;
dbo:pubchem "10522"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "RAPBNVDSDCTNRC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2y44DClbzlt" ;
skos:prefLabel "ethyl-4,4'-dichloorbenzilaat"@nl .
csc:KNWODGJQLCISLC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:56207 ;
dbo:casNumber "91296-87-6" , "98105-99-8" ;
dbo:formula "C20H18ClF2N3O3" ;
dbo:inchi "InChI=1S/C20H17F2N3O3.ClH/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;/h1-4,9-11,23H,5-8H2,(H,27,28);1H" ;
dbo:iupacName "6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrochloride"@en ;
dbo:pubchem "56207"^^xsd:int ;
dbo:smiles "C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl" ;
dbp:inchikey "KNWODGJQLCISLC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002348 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sarafloxacine"@nl .
csc:BKAYSPSVVJBHHK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:26450 ;
dbo:casNumber "14088-71-2" ;
dbo:formula "C16H14Cl2O" ;
dbo:inchi "InChI=1S/C16H14Cl2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2" ;
dbo:iupacName "bis(4-chlorophenyl)-cyclopropylmethanol"@en ;
dbo:pubchem "26450"^^xsd:int ;
dbo:smiles "C1CC1C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O" ;
dbp:inchikey "BKAYSPSVVJBHHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "proclnl" ;
skos:prefLabel "proclonol"@nl .
csc:JFALSRSLKYAFGM-OIOBTWANSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61784 ;
dbo:casNumber "15117-96-1" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U/i1-3" ;
dbo:iupacName "uranium-235"@en ;
dbo:pubchem "61784"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "JFALSRSLKYAFGM-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U235" ;
skos:prefLabel "uranium 235"@nl .
csc:OCATYIAKPYKMPG-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24444 ;
dbo:casNumber "7758-01-2" ;
dbo:formula "BrKO3" ;
dbo:inchi "InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1" ;
dbo:iupacName "POTASSIUM BROMATE"@en ;
dbo:pubchem "24444"^^xsd:int ;
dbo:smiles "[O-]Br(=O)=O.[K+]" ;
dbp:inchikey "OCATYIAKPYKMPG-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KBrO3" ;
skos:prefLabel "kaliumbromaat"@nl .
csc:LGZZJTIUEJNNKV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15766 ;
dbo:casNumber "1825-19-0" ;
dbo:formula "C7H3Cl5S" ;
dbo:inchi "InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-methylsulfanylbenzene"@en ;
dbo:pubchem "15766"^^xsd:int ;
dbo:smiles "CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "LGZZJTIUEJNNKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCTA" ;
skos:prefLabel "pentachloorthioanisole"@nl .
csc:POULHZVOKOAJMA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3893 ;
dbo:casNumber "8045-27-0" , "143-07-7" , "7632-48-6" , "203714-07-2" , "8000-62-2" ;
dbo:formula "C12H24O2" ;
dbo:inchi "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" ;
dbo:iupacName "Dodecanoic acid"@en ;
dbo:pubchem "3893"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC(=O)O" ;
dbp:inchikey "POULHZVOKOAJMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12azr" ;
skos:prefLabel "dodecaanzuur"@nl .
csc:OWZPCEFYPSAJFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6950 ;
dbo:casNumber "88-85-7" , "152212-20-9" , "39403-80-0" ;
dbo:formula "C10H12N2O5" ;
dbo:inchi "InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3" ;
dbo:iupacName "2-butan-2-yl-4,6-dinitrophenol"@en ;
dbo:pubchem "6950"^^xsd:int ;
dbo:smiles "CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O" ;
dbp:inchikey "OWZPCEFYPSAJFR-UHFFFAOYSA-N" ;
skos:altLabel "2-sec-butyl-4,6-dinitrofenol"@nl ;
skos:broader csc:CHEMONTID_0004505 ;
skos:exactMatch wise:CAS_88-85-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dnsb" ;
skos:prefLabel "dinoseb"@nl ;
vcs:vmmParameterId "761"^^xsd:int .
csc:VTYYLEPIZMXCLO-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10112 ;
dbo:casNumber "63660-97-9" , "146358-95-4" , "13397-26-7" , "114453-69-9" , "172307-27-6" , "1317-65-3" , "39454-55-2" , "72608-12-9" , "471-34-1" , "180616-31-3" , "137803-94-2" , "71060-88-3" , "166516-01-4" , "251358-28-8" , "60083-79-6" ;
dbo:formula "CCaO3" ;
dbo:inchi "InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2" ;
dbo:iupacName "Calcium carbonate"@en ;
dbo:pubchem "10112"^^xsd:int ;
dbo:smiles "C(=O)([O-])[O-].[Ca+2]" ;
dbp:inchikey "VTYYLEPIZMXCLO-UHFFFAOYSA-L" ;
skos:altLabel "calciumcarbonaat"@nl ;
skos:broader csc:CHEMONTID_0001521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaCO3" , "calct" ;
skos:prefLabel "calciet"@nl .
csc:BAFQDKPJKOLXFZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13708 ;
dbo:casNumber "950-35-6" ;
dbo:formula "C8H10NO6P" ;
dbo:inchi "InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3" ;
dbo:iupacName "dimethyl (4-nitrophenyl) phosphate"@en ;
dbo:pubchem "13708"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "BAFQDKPJKOLXFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "paroonC1y" ;
skos:prefLabel "paraoxon-methyl"@nl .
csc:AGUIVNYEYSCPNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10178 ;
dbo:casNumber "479-45-8" ;
dbo:formula "C7H5N5O8" ;
dbo:inchi "InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3" ;
dbo:iupacName "N-methyl-N-(2,4,6-trinitrophenyl)nitramide"@en ;
dbo:pubchem "10178"^^xsd:int ;
dbo:smiles "CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "AGUIVNYEYSCPNI-UHFFFAOYSA-N" ;
skos:altLabel "tetryl (CE)"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tetl" ;
skos:prefLabel "tetryl (ce)"@nl .
csc:FDTQTOKRWQJRAC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:154379 ;
dbo:casNumber "57964-39-3" ;
dbo:formula "C14H14N2" ;
dbo:inchi "InChI=1S/C14H14N2/c1-10(8-15)12-7-6-11(9-16)13-4-2-3-5-14(12)13/h2-5,10-12H,6-7H2,1H3" ;
dbo:iupacName "4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile"@en ;
dbo:pubchem "154379"^^xsd:int ;
dbo:smiles "CC(C#N)C1CCC(C2=CC=CC=C12)C#N" ;
dbp:inchikey "FDTQTOKRWQJRAC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4CN1234T4HaC" ;
skos:prefLabel "4-cyaan-1,2,3,4-tetrahydro-alfamethyl-1-naftaleenacetonitril"@nl .
csc:CERQOIWHTDAKMF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4093 ;
dbo:casNumber "115708-68-4" , "79-41-4" , "463311-95-7" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" ;
dbo:iupacName "2-methylprop-2-enoic acid"@en ;
dbo:pubchem "4093"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)O" ;
dbp:inchikey "CERQOIWHTDAKMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metaczr" ;
skos:prefLabel "methacrylzuur"@nl .
csc:WWGUMAYGTYQSGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11386 ;
dbo:casNumber "581-40-8" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3" ;
dbo:iupacName "2,3-Dimethylnaphthalene"@en ;
dbo:pubchem "11386"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2C=C1C" ;
dbp:inchikey "WWGUMAYGTYQSGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yNaf" ;
skos:prefLabel "2,3-dimethylnaftaleen"@nl .
csc:BBABSCYTNHOKOG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15767 ;
dbo:casNumber "1825-21-4" ;
dbo:formula "C7H3Cl5O" ;
dbo:inchi "InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-methoxybenzene"@en ;
dbo:pubchem "15767"^^xsd:int ;
dbo:smiles "COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "BBABSCYTNHOKOG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClansl" ;
skos:prefLabel "pentachlooranisol"@nl .
csc:IOFHZPVEQXTSQW-BXUZGUMPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:162287 ;
dbo:casNumber "38115-21-8" ;
dbo:formula "C15H15N3O5S2" ;
dbo:inchi "InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1" ;
dbo:iupacName "(6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "162287"^^xsd:int ;
dbo:smiles "C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=NC=C3)C(=O)O)CO" ;
dbp:inchikey "IOFHZPVEQXTSQW-BXUZGUMPSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "desacetycefapirine"@nl .
csc:OTVAEFIXJLOWRX-NXEZZACHSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27200 ;
dbo:casNumber "15318-45-3" , "90-91-5" , "32430-04-9" , "3785-14-6" , "14786-51-7" ;
dbo:formula "C12H15Cl2NO5S" ;
dbo:inchi "InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1" ;
dbo:iupacName "2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide"@en ;
dbo:pubchem "27200"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O" ;
dbp:inchikey "OTVAEFIXJLOWRX-NXEZZACHSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "thiamfenicol"@nl .
csc:WJCNZQLZVWNLKY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5430 ;
dbo:casNumber "145316-67-2" , "94977-06-7" , "8028-27-1" , "123242-33-1" , "98002-42-7" , "8018-04-0" , "148-79-8" , "8027-10-9" ;
dbo:formula "C10H7N3S" ;
dbo:inchi "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" ;
dbo:iupacName "2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE"@en ;
dbo:pubchem "5430"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" ;
dbp:inchikey "WJCNZQLZVWNLKY-UHFFFAOYSA-N" ;
skos:altLabel "thiabendazol"@nl ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tabdzl" ;
skos:prefLabel "thiabendazole"@nl .
csc:IHYMJUVQLSNPPP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5125273 ;
dbo:casNumber "674-13-5" ;
dbo:formula "C3HF5O3" ;
dbo:inchi "InChI=1S/C3HF5O3/c4-2(5,1(9)10)11-3(6,7)8/h(H,9,10)" ;
dbo:iupacName "2,2-difluoro-2-(trifluoromethoxy)acetic acid"@en ;
dbo:pubchem "5125273"^^xsd:int ;
dbo:smiles "C(=O)(C(OC(F)(F)F)(F)F)O" ;
dbp:inchikey "IHYMJUVQLSNPPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFMOAA" ;
skos:prefLabel "perfluor-2-methoxyazijnzuur"@nl .
csc:CXOYNJAHPUASHN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40477 ;
dbo:casNumber "52663-70-4" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)12(5)19)8-10(17)6(14)3-7(15)11(8)18/h1-3H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "40477"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "CXOYNJAHPUASHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB177" ;
skos:prefLabel "2,2',3,3',4,5',6-heptachloorbifenyl"@nl .
csc:LVQDKIWDGQRHTE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47866 ;
dbo:casNumber "66215-27-8" ;
dbo:formula "C6H10N6" ;
dbo:inchi "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" ;
dbo:iupacName "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine"@en ;
dbo:pubchem "47866"^^xsd:int ;
dbo:smiles "C1CC1NC2=NC(=NC(=N2)N)N" ;
dbp:inchikey "LVQDKIWDGQRHTE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003080 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyrmzne" ;
skos:prefLabel "cyromazine"@nl .
csc:RXPQRKFMDQNODS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10546 ;
dbo:casNumber "513-08-6" ;
dbo:formula "C9H21O4P" ;
dbo:inchi "InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3" ;
dbo:iupacName "Tripropyl phosphate"@en ;
dbo:pubchem "10546"^^xsd:int ;
dbo:smiles "CCCOP(=O)(OCCC)OCCC" ;
dbp:inchikey "RXPQRKFMDQNODS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC3yPO4" ;
skos:prefLabel "tripropylfosfaat"@nl .
csc:KIDHWZJUCRJVML-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1045 ;
dbo:casNumber "1071-98-3" , "110-60-1" ;
dbo:formula "C4H12N2" ;
dbo:inchi "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2" ;
dbo:iupacName "['butane-1,4-diamine', 'but-2-ynedinitrile']"@en ;
dbo:pubchem "1045"^^xsd:int ;
dbo:smiles "C(CCN)CN" ;
dbp:inchikey "KIDHWZJUCRJVML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14C4aDAe" ;
skos:prefLabel "1,4-butaandiamine"@nl .
csc:PCHJSUWPFVWCPO-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167085 ;
dbo:casNumber "14391-11-8" ;
dbo:formula "Au" ;
dbo:inchi "InChI=1S/Au/i1+2" ;
dbo:iupacName "gold-199"@en ;
dbo:pubchem "167085"^^xsd:int ;
dbo:smiles "[Au]" ;
dbp:inchikey "PCHJSUWPFVWCPO-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Au199" ;
skos:prefLabel "goud 199"@nl .
csc:NVGOPFQZYCNLDU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:33775 ;
dbo:casNumber "27314-13-2" ;
dbo:formula "C12H9ClF3N3O" ;
dbo:inchi "InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3" ;
dbo:iupacName "4-chloro-5-methylamino-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one"@en ;
dbo:pubchem "33775"^^xsd:int ;
dbo:smiles "CNC1=C(C(=O)N(N=C1)C2=CC=CC(=C2)C(F)(F)F)Cl" ;
dbp:inchikey "NVGOPFQZYCNLDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norfrzn" ;
skos:prefLabel "norflurazon"@nl .
csc:OYEHPCDNVJXUIW-FTXFMUIASA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61782 ;
dbo:casNumber "15117-48-3" , "97918-67-7" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu/i1-5" ;
dbo:iupacName "plutonium-239"@en ;
dbo:pubchem "61782"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "OYEHPCDNVJXUIW-FTXFMUIASA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu239" ;
skos:prefLabel "plutonium 239"@nl .
csc:ZCNQYNHDVRPZIH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93542 ;
dbo:casNumber "117337-19-6" ;
dbo:formula "C15H15ClFN3O3S2" ;
dbo:inchi "InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3" ;
dbo:iupacName "methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate"@en ;
dbo:pubchem "93542"^^xsd:int ;
dbo:smiles "COC(=O)CSC1=C(C=C(C(=C1)N=C2N3CCCCN3C(=O)S2)F)Cl" ;
dbp:inchikey "ZCNQYNHDVRPZIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutcC1y" ;
skos:prefLabel "fluthiacet-methyl"@nl .
csc:STCOOQWBFONSKY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31357 ;
dbo:casNumber "126-73-8" , "19824-61-4" , "80094-39-9" , "15158-85-7" ;
dbo:formula "C12H27O4P" ;
dbo:inchi "InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3" ;
dbo:iupacName "['tributoxy-hydroxyphosphanium', 'Tributyl phosphate']"@en ;
dbo:pubchem "31357"^^xsd:int ;
dbo:smiles "CCCCOP(=O)(OCCCC)OCCCC" ;
dbp:inchikey "STCOOQWBFONSKY-UHFFFAOYSA-N" ;
skos:altLabel "tri-n-butylfosfaat"@nl ;
skos:broader csc:CHEMONTID_0003460 ;
skos:exactMatch wise:CAS_126-73-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4yPO4" ;
skos:prefLabel "tributylfosfaat"@nl ;
vcs:vmmParameterId "520"^^xsd:int .
csc:OGBQILNBLMPPDP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:42128 ;
dbo:casNumber "57117-31-4" ;
dbo:formula "C12H3Cl5O" ;
dbo:inchi "InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H" ;
dbo:iupacName "2,3,4,7,8-PENTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "42128"^^xsd:int ;
dbo:smiles "C1=C2C3=CC(=C(C(=C3OC2=CC(=C1Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "OGBQILNBLMPPDP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,4,7,8-pentachloordibenzofuraan (pecdf)"@nl , " 2,3,4,7,8-pentachloordibenzofuraan"@nl , "2,3,4,7,8-pentachloordibenzofuran"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_57117-31-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF114" ;
skos:prefLabel "2,3,4,7,8-pentachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1239"^^xsd:int .
csc:BBEAQIROQSPTKN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31423 ;
dbo:casNumber "76165-23-6" , "129-00-0" ;
dbo:formula "C16H10" ;
dbo:inchi "InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H" ;
dbo:iupacName "PYRENE"@en ;
dbo:pubchem "31423"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2" ;
dbp:inchikey "BBEAQIROQSPTKN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0001851 ;
skos:exactMatch wise:CAS_129-00-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pyr" ;
skos:prefLabel "pyreen"@nl ;
vcs:vmmParameterId "1434"^^xsd:int , "434"^^xsd:int .
csc:ATNHDLDRLWWWCB-ZPPYAHEGSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5280772 ;
dbo:casNumber "479-61-8" ;
dbo:formula "C55H72MgN4O5" ;
dbo:inchi "InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32?,33?,37-,41-,51?;/m0./s1" ;
dbo:iupacName "magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate"@en ;
dbo:pubchem "5280772"^^xsd:int ;
dbo:smiles "CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2]" ;
dbp:inchikey "ATNHDLDRLWWWCB-ZPPYAHEGSA-M" ;
skos:broader csc:CHEMONTID_0000716 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHLFa" ;
skos:prefLabel "chlorofyl-a"@nl .
csc:ZUOUZKKEUPVFJK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7095 ;
dbo:casNumber "56481-93-7" , "72931-46-5" , "81846-81-3" , "92-52-4" , "68409-73-4" ;
dbo:formula "C12H10" ;
dbo:inchi "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "Phenylbenzene"@en ;
dbo:pubchem "7095"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=C2" ;
dbp:inchikey "ZUOUZKKEUPVFJK-UHFFFAOYSA-N" ;
skos:altLabel "bifenyl"@nl ;
skos:broader csc:CHEMONTID_0000041 ;
skos:exactMatch wise:CAS_92-52-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "biFy" ;
skos:prefLabel "difenyl"@nl ;
vcs:vmmParameterId "498"^^xsd:int .
csc:OCKPCBLVNKHBMX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7705 ;
dbo:casNumber "104-51-8" , "74296-32-5" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" ;
dbo:iupacName "Butylbenzene"@en ;
dbo:pubchem "7705"^^xsd:int ;
dbo:smiles "CCCCC1=CC=CC=C1" ;
dbp:inchikey "OCKPCBLVNKHBMX-UHFFFAOYSA-N" ;
skos:altLabel "n-butylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_104-51-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yBen" ;
skos:prefLabel "butylbenzeen"@nl ;
vcs:vmmParameterId "551"^^xsd:int .
csc:NWIUTZDMDHAVTP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2369 ;
dbo:casNumber "63659-18-7" ;
dbo:formula "C18H29NO3" ;
dbo:inchi "InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3" ;
dbo:iupacName "1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "2369"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O" ;
dbp:inchikey "NWIUTZDMDHAVTP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "betxll" ;
skos:prefLabel "betaxolol"@nl .
csc:VVAKEQGKZNKUSU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6893 ;
dbo:casNumber "1300-73-8" , "87-59-2" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2,3-Dimethylaniline"@en ;
dbo:pubchem "6893"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)N)C" ;
dbp:inchikey "VVAKEQGKZNKUSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23xyldne" ;
skos:prefLabel "2,3-xylidine"@nl .
csc:GKAOGPIIYCISHV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23935 ;
dbo:casNumber "36826-26-3" , "7440-01-9" , "12794-67-1" , "71928-15-9" ;
dbo:formula "Ne" ;
dbo:inchi "InChI=1S/Ne" ;
dbo:iupacName "NEON"@en ;
dbo:pubchem "23935"^^xsd:int ;
dbo:smiles "[Ne]" ;
dbp:inchikey "GKAOGPIIYCISHV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ne" ;
skos:prefLabel "neon"@nl .
csc:KWTSXDURSIMDCE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3007 ;
dbo:casNumber "300-62-9" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3" ;
dbo:iupacName "1-phenylpropan-2-amine"@en ;
dbo:pubchem "3007"^^xsd:int ;
dbo:smiles "CC(CC1=CC=CC=C1)N" ;
dbp:inchikey "KWTSXDURSIMDCE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amfAe" ;
skos:prefLabel "amfetamine"@nl .
csc:LKJPSUCKSLORMF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:15629 ;
dbo:casNumber "56449-36-6" , "1746-81-2" ;
dbo:formula "C9H11ClN2O2" ;
dbo:inchi "InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" ;
dbo:iupacName "3-(4-Chlorophenyl)-1-methoxy-1-methylurea"@en ;
dbo:pubchem "15629"^^xsd:int ;
dbo:smiles "CN(C(=O)NC1=CC=C(C=C1)Cl)OC" ;
dbp:inchikey "LKJPSUCKSLORMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_1746-81-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mlnrn" ;
skos:prefLabel "monolinuron"@nl ;
vcs:vmmParameterId "278"^^xsd:int .
csc:ZIEWAMOXCOLNSJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:94382 ;
dbo:casNumber "27541-88-4" ;
dbo:formula "C12H6Cl3NO3" ;
dbo:inchi "InChI=1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)" ;
dbo:iupacName "2,2-dichloro-N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide"@en ;
dbo:pubchem "94382"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)C(Cl)Cl" ;
dbp:inchikey "ZIEWAMOXCOLNSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000153 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chinnmd" ;
skos:prefLabel "chinonamid"@nl .
csc:VHVPQPYKVGDNFY-ZPGVKDDISA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:55283 ;
dbo:casNumber "84625-61-6" , "84604-65-9" ;
dbo:formula "C35H38Cl2N8O4" ;
dbo:inchi "InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1" ;
dbo:iupacName "2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one"@en ;
dbo:pubchem "55283"^^xsd:int ;
dbo:smiles "CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl" ;
dbp:inchikey "VHVPQPYKVGDNFY-ZPGVKDDISA-N" ;
skos:broader csc:CHEMONTID_0001984 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "itraconazol"@nl .
csc:MURWRBWZIMXKGC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66540 ;
dbo:casNumber "84-78-6" ;
dbo:formula "C20H30O4" ;
dbo:inchi "InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3" ;
dbo:iupacName "O2-butyl O1-octyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "66540"^^xsd:int ;
dbo:smiles "CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC" ;
dbp:inchikey "MURWRBWZIMXKGC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C4y2C8yBenz" ;
skos:prefLabel "1-butyl 2-octylbenzeen-1,2-dicarboxylaat"@nl .
csc:JWUCHKBSVLQQCO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91727 ;
dbo:casNumber "87676-93-5" , "76674-21-0" ;
dbo:formula "C16H13F2N3O" ;
dbo:inchi "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" ;
dbo:iupacName "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol"@en ;
dbo:pubchem "91727"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F" ;
dbp:inchikey "JWUCHKBSVLQQCO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluTafl" ;
skos:prefLabel "flutriafol"@nl .
csc:CSNIZNHTOVFARY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9225 ;
dbo:casNumber "272-16-2" ;
dbo:formula "C7H5NS" ;
dbo:inchi "InChI=1S/C7H5NS/c1-2-4-7-6(3-1)5-8-9-7/h1-5H" ;
dbo:iupacName "1,2-benzothiazole"@en ;
dbo:pubchem "9225"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=NS2" ;
dbp:inchikey "CSNIZNHTOVFARY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12Benitazl" ;
skos:prefLabel "1,2-benzisothiazool"@nl .
csc:XMHKTINRBAKEDS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5360423 ;
dbo:casNumber "869-59-0" ;
dbo:formula "C24H51Sn" ;
dbo:inchi "InChI=1S/3C8H17.Sn/c3*1-3-5-7-8-6-4-2;/h3*1,3-8H2,2H3;" ;
dbo:iupacName "Tri-n-octyltin Hydride"@en ;
dbo:pubchem "5360423"^^xsd:int ;
dbo:smiles "CCCCCCCC[Sn](CCCCCCCC)CCCCCCCC" ;
dbp:inchikey "XMHKTINRBAKEDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004072 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC8ySn" ;
skos:prefLabel "trioctyltin (kation)"@nl .
csc:ZDPIZLCVJAAHHR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18087 ;
dbo:casNumber "68821-99-8" , "11116-46-4" , "2971-90-6" ;
dbo:formula "C7H7Cl2NO" ;
dbo:inchi "InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)" ;
dbo:iupacName "3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one"@en ;
dbo:pubchem "18087"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)C(=C(N1)C)Cl)Cl" ;
dbp:inchikey "ZDPIZLCVJAAHHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clopdl" ;
skos:prefLabel "clopidol"@nl .
csc:QTXHFDHVLBDJIO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16774 ;
dbo:casNumber "2275-18-5" ;
dbo:formula "C9H20NO3PS2" ;
dbo:inchi "InChI=1S/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)" ;
dbo:iupacName "2-diethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide"@en ;
dbo:pubchem "16774"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCC(=O)NC(C)C" ;
dbp:inchikey "QTXHFDHVLBDJIO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protat" ;
skos:prefLabel "prothoaat"@nl .
csc:NDUPDOJHUQKPAG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6418 ;
dbo:casNumber "75-99-0" ;
dbo:formula "C3H4Cl2O2" ;
dbo:inchi "InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)" ;
dbo:iupacName "2,2-Dichloropropanoic acid"@en ;
dbo:pubchem "6418"^^xsd:int ;
dbo:smiles "CC(C(=O)O)(Cl)Cl" ;
dbp:inchikey "NDUPDOJHUQKPAG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DClppozr" ;
skos:prefLabel "2,2-dichloorpropionzuur"@nl .
csc:GKLVYJBZJHMRIY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23957 ;
dbo:casNumber "7440-26-8" ;
dbo:formula "Tc" ;
dbo:inchi "InChI=1S/Tc" ;
dbo:iupacName "technetium"@en ;
dbo:pubchem "23957"^^xsd:int ;
dbo:smiles "[Tc]" ;
dbp:inchikey "GKLVYJBZJHMRIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tc" ;
skos:prefLabel "technetium"@nl .
csc:SXDBWCPKPHAZSM-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:84979 ;
dbo:casNumber "15541-45-4" ;
dbo:formula "BrO3-" ;
dbo:inchi "InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)/p-1" ;
dbo:iupacName "bromate"@en ;
dbo:pubchem "84979"^^xsd:int ;
dbo:smiles "[O-]Br(=O)=O" ;
dbp:inchikey "SXDBWCPKPHAZSM-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001048 ;
skos:exactMatch wise:CAS_15541-45-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrO3" ;
skos:prefLabel "bromaat"@nl ;
vcs:vmmParameterId "1532"^^xsd:int .
csc:VGPYEHKOIGNJKV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18752 ;
dbo:casNumber "3337-71-1" ;
dbo:formula "C8H10N2O4S" ;
dbo:inchi "InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)" ;
dbo:iupacName "methyl N-(4-aminophenyl)sulfonylcarbamate"@en ;
dbo:pubchem "18752"^^xsd:int ;
dbo:smiles "COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N" ;
dbp:inchikey "VGPYEHKOIGNJKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aslm" ;
skos:prefLabel "asulam"@nl .
csc:DDVNRFNDOPPVQJ-HQJQHLMTSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:656612 ;
dbo:casNumber "118712-89-3" ;
dbo:formula "C15H12Cl2F4O2" ;
dbo:inchi "InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1" ;
dbo:iupacName "(2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "656612"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)C" ;
dbp:inchikey "DDVNRFNDOPPVQJ-HQJQHLMTSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tftn" ;
skos:prefLabel "transfluthrin"@nl .
csc:NKNFWVNSBIXGLL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86306 ;
dbo:casNumber "110895-43-7" , "112143-82-5" ;
dbo:formula "C13H22N4O3S" ;
dbo:inchi "InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3" ;
dbo:iupacName "ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate"@en ;
dbo:pubchem "86306"^^xsd:int ;
dbo:smiles "CCOC(=O)CSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C" ;
dbp:inchikey "NKNFWVNSBIXGLL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tazmt" ;
skos:prefLabel "triazamaat"@nl .
csc:PUIYMUZLKQOUOZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36679 ;
dbo:casNumber "34123-59-6" ;
dbo:formula "C12H18N2O" ;
dbo:inchi "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" ;
dbo:iupacName "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea"@en ;
dbo:pubchem "36679"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" ;
dbp:inchikey "PUIYMUZLKQOUOZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_34123-59-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iptrn" ;
skos:prefLabel "isoproturon"@nl ;
vcs:vmmParameterId "274"^^xsd:int .
csc:SUIQUYDRLGGZOL-RCWTXCDDSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3033924 ;
dbo:casNumber "100986-85-4" , "138199-71-0" ;
dbo:formula "C36H42F2N6O9" ;
dbo:inchi "InChI=1S/2C18H20FN3O4.H2O/c2*1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h2*7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H2/t2*10-;/m00./s1" ;
dbo:iupacName "(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrate"@en ;
dbo:pubchem "3033924"^^xsd:int ;
dbo:smiles "CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.O" ;
dbp:inchikey "SUIQUYDRLGGZOL-RCWTXCDDSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "levfxcne" ;
skos:prefLabel "levofloxacine"@nl .
csc:FUCYIEXQVQJBKY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10223 ;
dbo:casNumber "483-76-1" ;
dbo:formula "C15H24" ;
dbo:inchi "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3" ;
dbo:iupacName "4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene"@en ;
dbo:pubchem "10223"^^xsd:int ;
dbo:smiles "CC1=CC2C(CCC(=C2CC1)C)C(C)C" ;
dbp:inchikey "FUCYIEXQVQJBKY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dcadnn" ;
skos:prefLabel "(+)-delta-cadineen"@nl .
csc:FHKLOBNGYGFRSF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61432 ;
dbo:casNumber "10022-70-5" ;
dbo:formula "ClH10NaO6" ;
dbo:inchi "InChI=1S/ClO.Na.5H2O/c1-2;;;;;;/h;;5*1H2/q-1;+1;;;;;" ;
dbo:iupacName "Sodium hypochlorite pentahydrate"@en ;
dbo:pubchem "61432"^^xsd:int ;
dbo:smiles "O.O.O.O.O.[O-]Cl.[Na+]" ;
dbp:inchikey "FHKLOBNGYGFRSF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaClO5H2O" ;
skos:prefLabel "natriumhypochloriet pentahydraat"@nl .
csc:RUZMUTWCUZLWQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:117947 ;
dbo:casNumber "1707-71-7" , "27194-63-4" ;
dbo:formula "C4H12O7P2" ;
dbo:inchi "InChI=1S/C4H12O7P2/c1-3-9-12(5,6)11-13(7,8)10-4-2/h3-4H2,1-2H3,(H,5,6)(H,7,8)" ;
dbo:iupacName "(ethoxy-hydroxyphosphoryl) ethyl hydrogen phosphate"@en ;
dbo:pubchem "117947"^^xsd:int ;
dbo:smiles "CCOP(=O)(O)OP(=O)(O)OCC" ;
dbp:inchikey "RUZMUTWCUZLWQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001804 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yzrprPO4" ;
skos:prefLabel "diethylzuur pyrofosfaat"@nl .
csc:FOUWCSDKDDHKQP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92425 ;
dbo:casNumber "141490-50-8" , "103361-09-7" ;
dbo:formula "C19H15FN2O4" ;
dbo:inchi "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" ;
dbo:iupacName "2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione"@en ;
dbo:pubchem "92425"^^xsd:int ;
dbo:smiles "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" ;
dbp:inchikey "FOUWCSDKDDHKQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001437 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flumoxzn" ;
skos:prefLabel "flumioxazin"@nl .
csc:ROVGZAWFACYCSP-VUMXUWRFSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281045 ;
dbo:casNumber "121-21-1" ;
dbo:formula "C21H28O3" ;
dbo:inchi "InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1" ;
dbo:iupacName "[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "5281045"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C" ;
dbp:inchikey "ROVGZAWFACYCSP-VUMXUWRFSA-N" ;
skos:altLabel "pyrethrin i"@nl ;
skos:broader csc:CHEMONTID_0001724 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrtnI" ;
skos:prefLabel "pyrethrin I"@nl .
csc:TVLSRXXIMLFWEO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:73665 ;
dbo:casNumber "67747-09-5" , "68444-81-5" ;
dbo:formula "C15H16Cl3N3O2" ;
dbo:inchi "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" ;
dbo:iupacName "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide"@en ;
dbo:pubchem "73665"^^xsd:int ;
dbo:smiles "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2" ;
dbp:inchikey "TVLSRXXIMLFWEO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:exactMatch wise:CAS_67747-09-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "proClaz" ;
skos:prefLabel "prochloraz"@nl ;
vcs:vmmParameterId "1472"^^xsd:int .
csc:PRGQOPPDPVELEG-KBPBESRZSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:114725 ;
dbo:casNumber "58955-93-4" ;
dbo:formula "C15H14N2O3" ;
dbo:inchi "InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m0/s1" ;
dbo:iupacName "(5S,6S)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "114725"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O" ;
dbp:inchikey "PRGQOPPDPVELEG-KBPBESRZSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t1011DHOx101" ;
skos:prefLabel "trans-10,11-dihydroxy-10,11-dihydrocarbazepine"@nl .
csc:MGFYIUFZLHCRTH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8758 ;
dbo:casNumber "26627-44-1" , "80751-51-5" , "139-13-9" , "49784-42-1" , "26627-45-2" ;
dbo:formula "C6H9NO6" ;
dbo:inchi "InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)" ;
dbo:iupacName "2-(bis(carboxymethyl)amino)acetic acid"@en ;
dbo:pubchem "8758"^^xsd:int ;
dbo:smiles "C(C(=O)O)N(CC(=O)O)CC(=O)O" ;
dbp:inchikey "MGFYIUFZLHCRTH-UHFFFAOYSA-N" ;
skos:altLabel "nitrilotriazijnzuur (nta)"@nl ;
skos:broader csc:CHEMONTID_0002404 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NTA" ;
skos:prefLabel "nitrilotriazijnzuur (NTA)"@nl .
csc:DPSPPJIUMHPXMA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3374 ;
dbo:casNumber "42835-25-6" , "143984-63-8" ;
dbo:formula "C14H12FNO3" ;
dbo:inchi "InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)" ;
dbo:iupacName "7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid"@en ;
dbo:pubchem "3374"^^xsd:int ;
dbo:smiles "CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O" ;
dbp:inchikey "DPSPPJIUMHPXMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flumqne" ;
skos:prefLabel "flumequine"@nl .
csc:YKYONYBAUNKHLG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7997 ;
dbo:casNumber "109-60-4" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" ;
dbo:iupacName "Propyl acetate"@en ;
dbo:pubchem "7997"^^xsd:int ;
dbo:smiles "CCCOC(=O)C" ;
dbp:inchikey "YKYONYBAUNKHLG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3yactt" ;
skos:prefLabel "propylacetaat"@nl .
csc:GGBZCCPSKRKGQB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:168654 ;
dbo:casNumber "27083-27-8" ;
dbo:formula "C16H35ClN10" ;
dbo:inchi "InChI=1S/C10H18N8.C6H16N2.ClH/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12;7-5-3-1-2-4-6-8;/h1-6H2,(H3,13,15,17)(H3,14,16,18);1-8H2;1H" ;
dbo:iupacName "2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-1-cyanoguanidine; hexane-1,6-diamine; hydrochloride"@en ;
dbo:pubchem "168654"^^xsd:int ;
dbo:smiles "C(CCCN)CCN.C(CCCN=C(N)NC#N)CCN=C(N)NC#N.Cl" ;
dbp:inchikey "GGBZCCPSKRKGQB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000375 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PHMBHCl" ;
skos:prefLabel "polyhexamethyleenbiguanide hydrochloride"@nl .
csc:YJVXQQKAUCYQIP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:350151 ;
dbo:casNumber "4271-09-4" ;
dbo:formula "C14H8N2S2" ;
dbo:inchi "InChI=1S/C14H8N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8H" ;
dbo:iupacName "2-(1,3-benzothiazol-2-yl)-1,3-benzothiazole"@en ;
dbo:pubchem "350151"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)C3=NC4=CC=CC=C4S3" ;
dbp:inchikey "YJVXQQKAUCYQIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22bibenztazl" ;
skos:prefLabel "2,2'-bibenzothiazool"@nl .
csc:GHMLBKRAJCXXBS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5054 ;
dbo:casNumber "26982-54-7" , "108-46-3" ;
dbo:formula "C6H6O2" ;
dbo:inchi "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" ;
dbo:iupacName "benzene-1,3-diol"@en ;
dbo:pubchem "5054"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)O)O" ;
dbp:inchikey "GHMLBKRAJCXXBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000137 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DHOxBen" ;
skos:prefLabel "1,3-dihydroxybenzeen"@nl .
csc:DNNSSWSSYDEUBZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5416 ;
dbo:casNumber "50938-65-3" , "7439-90-9" ;
dbo:formula "Kr" ;
dbo:inchi "InChI=1S/Kr" ;
dbo:iupacName "KRYPTON"@en ;
dbo:pubchem "5416"^^xsd:int ;
dbo:smiles "[Kr]" ;
dbp:inchikey "DNNSSWSSYDEUBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Kr" ;
skos:prefLabel "krypton"@nl .
csc:FBOFHVFMPNNIKN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15591 ;
dbo:casNumber "1721-89-7" ;
dbo:formula "C11H11N" ;
dbo:inchi "InChI=1S/C11H11N/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-7H,1-2H3" ;
dbo:iupacName "2,3-DIMETHYLQUINOLINE"@en ;
dbo:pubchem "15591"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2N=C1C" ;
dbp:inchikey "FBOFHVFMPNNIKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yqnlne" ;
skos:prefLabel "2,3-dimethylquinoline"@nl .
csc:YADOEPHJIBKBCN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:101068 ;
dbo:casNumber "59483-54-4" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2" ;
dbo:iupacName "3-Chloro-2-nitroaniline"@en ;
dbo:pubchem "101068"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])N" ;
dbp:inchikey "YADOEPHJIBKBCN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl2NO2An" ;
skos:prefLabel "3-chloor-2-nitroaniline"@nl .
csc:LIKMAJRDDDTEIG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'"@nl ;
rdfs:seeAlso compound:11597 ;
dbo:casNumber "68526-99-8" , "68783-15-3" , "33004-04-5" , "592-41-6" , "153522-12-4" ;
dbo:formula "C6H12" ;
dbo:inchi "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" ;
dbo:iupacName "hex-1-ene"@en ;
dbo:pubchem "11597"^^xsd:int ;
dbo:smiles "CCCCC=C" ;
dbp:inchikey "LIKMAJRDDDTEIG-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_005 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "1-hexeen"@nl .
csc:IVENSCMCQBJAKW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13878 ;
dbo:casNumber "1007-28-9" ;
dbo:formula "C5H8ClN5" ;
dbo:inchi "InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)" ;
dbo:iupacName "6-Chloro-N-ethyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13878"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)N)Cl" ;
dbp:inchikey "IVENSCMCQBJAKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:exactMatch wise:CAS_1007-28-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desiC3yatzne" ;
skos:prefLabel "desisopropylatrazine"@nl ;
vcs:vmmParameterId "272"^^xsd:int .
csc:QTYCMDBMOLSEAM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86211 ;
dbo:casNumber "125225-28-7" ;
dbo:formula "C18H24ClN3O" ;
dbo:inchi "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" ;
dbo:iupacName "2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol"@en ;
dbo:pubchem "86211"^^xsd:int ;
dbo:smiles "CC(C)C1CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl" ;
dbp:inchikey "QTYCMDBMOLSEAM-UHFFFAOYSA-N" ;
skos:altLabel "ipconazool"@nl ;
skos:broader csc:CHEMONTID_0001565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ipcnzl" ;
skos:prefLabel "ipconazole"@nl .
csc:KQRJATLINVYHEZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:29574 ;
dbo:casNumber "19406-51-0" ;
dbo:formula "C7H7N3O4" ;
dbo:inchi "InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3" ;
dbo:iupacName "4-methyl-3,5-dinitroaniline"@en ;
dbo:pubchem "29574"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1[N+](=O)[O-])N)[N+](=O)[O-]" ;
dbp:inchikey "KQRJATLINVYHEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Ao26DNO2Tol" ;
skos:prefLabel "4-amino-2,6-dinitrotolueen"@nl .
csc:GMMKZUPOLVXWFF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:120028 ;
dbo:casNumber "28712-62-1" ;
dbo:formula "C10H13N" ;
dbo:inchi "InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h6-7H,2-5H2,1H3" ;
dbo:iupacName "3-methyl-5,6,7,8-tetrahydroquinoline"@en ;
dbo:pubchem "120028"^^xsd:int ;
dbo:smiles "CC1=CC2=C(CCCC2)N=C1" ;
dbp:inchikey "GMMKZUPOLVXWFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001715 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5678T4H3C1yq" ;
skos:prefLabel "5,6,7,8-tetrahydro-3-methylquinoline"@nl .
csc:TVDSBUOJIPERQY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7859 ;
dbo:casNumber "107-19-7" ;
dbo:formula "C3H4O" ;
dbo:inchi "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" ;
dbo:iupacName "Prop-2-yn-1-ol"@en ;
dbo:pubchem "7859"^^xsd:int ;
dbo:smiles "C#CCO" ;
dbp:inchikey "TVDSBUOJIPERQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004478 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propgachl" ;
skos:prefLabel "propargylalcohol"@nl .
csc:DYDNPESBYVVLBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7671 ;
dbo:casNumber "103-70-8" ;
dbo:formula "C7H7NO" ;
dbo:inchi "InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)" ;
dbo:iupacName "N-Phenylformamide"@en ;
dbo:pubchem "7671"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC=O" ;
dbp:inchikey "DYDNPESBYVVLBO-UHFFFAOYSA-N" ;
skos:altLabel "N-fenylformamide"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NFYfAd" ;
skos:prefLabel "n-fenylformamide"@nl .
csc:FMWLUWPQPKEARP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6359 ;
dbo:casNumber "75-27-4" ;
dbo:formula "CHBrCl2" ;
dbo:inchi "InChI=1S/CHBrCl2/c2-1(3)4/h1H" ;
dbo:iupacName "bromo-dichloromethane"@en ;
dbo:pubchem "6359"^^xsd:int ;
dbo:smiles "C(Cl)(Cl)Br" ;
dbp:inchikey "FMWLUWPQPKEARP-UHFFFAOYSA-N" ;
skos:altLabel "broomdichloormethaan"@nl ;
skos:broader csc:CHEMONTID_0004160 ;
skos:exactMatch wise:CAS_75-27-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClBrC1a" ;
skos:prefLabel "dichloorbroommethaan"@nl ;
vcs:vmmParameterId "369"^^xsd:int .
csc:HOLHYSJJBXSLMV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6899 ;
dbo:casNumber "87-65-0" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H" ;
dbo:iupacName "2,6-Dichlorophenol"@en ;
dbo:pubchem "6899"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)O)Cl" ;
dbp:inchikey "HOLHYSJJBXSLMV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_87-65-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClFol" ;
skos:prefLabel "2,6-dichloorfenol"@nl ;
vcs:vmmParameterId "347"^^xsd:int .
csc:FSVJFNAIGNNGKK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4891 ;
dbo:casNumber "57452-31-0" , "55268-74-1" , "135526-78-2" ;
dbo:formula "C19H24N2O2" ;
dbo:inchi "InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2" ;
dbo:iupacName "2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a]isoquinolin-4-one"@en ;
dbo:pubchem "4891"^^xsd:int ;
dbo:smiles "C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2" ;
dbp:inchikey "FSVJFNAIGNNGKK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002955 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prazqtl" ;
skos:prefLabel "praziquantel"@nl .
csc:ONCZDRURRATYFI-QTCHDTBASA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9578570 ;
dbo:casNumber "221007-60-9" , "141517-21-7" ;
dbo:formula "C20H19F3N2O4" ;
dbo:inchi "InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18-" ;
dbo:iupacName "['methyl (2Z)-2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate', 'methyl 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate']"@en ;
dbo:pubchem "9578570"^^xsd:int ;
dbo:smiles "CC(=NOCC1=CC=CC=C1C(=NOC)C(=O)OC)C2=CC(=CC=C2)C(F)(F)F" ;
dbp:inchikey "ONCZDRURRATYFI-QTCHDTBASA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfxsbn" ;
skos:prefLabel "trifloxystrobin"@nl .
csc:WABPQHHGFIMREM-AKLPVKDBSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328175 ;
dbo:casNumber "14255-04-0" ;
dbo:formula "Pb" ;
dbo:inchi "InChI=1S/Pb/i1+3" ;
dbo:iupacName "lead-210"@en ;
dbo:pubchem "6328175"^^xsd:int ;
dbo:smiles "[Pb]" ;
dbp:inchikey "WABPQHHGFIMREM-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pb210" ;
skos:prefLabel "lood 210"@nl .
csc:UOORRWUZONOOLO-OWOJBTEDSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24726 ;
dbo:casNumber "8022-76-2" , "68525-58-6" , "6923-20-2" , "10061-02-6" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+" ;
dbo:iupacName "['(E)-1,3-dichloroprop-1-ene', '1,3-dichloroprop-1-ene']"@en ;
dbo:pubchem "24726"^^xsd:int ;
dbo:smiles "C(C=CCl)Cl" ;
dbp:inchikey "UOORRWUZONOOLO-OWOJBTEDSA-N" ;
skos:altLabel "trans-1,3-dichloorpropeen"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_10061-02-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t13DClC3e" , "c12DClC3e" ;
skos:prefLabel "cis-1,2-dichloorpropeen"@nl ;
vcs:vmmParameterId "327"^^xsd:int .
csc:OKOCIUJVPQKDLL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:118691 ;
dbo:casNumber "34455-29-3" ;
dbo:formula "C15H19F13N2O4S" ;
dbo:inchi "InChI=1S/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3" ;
dbo:iupacName "2-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azaniumyl]acetate"@en ;
dbo:pubchem "118691"^^xsd:int ;
dbo:smiles "C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-]" ;
dbp:inchikey "OKOCIUJVPQKDLL-UHFFFAOYSA-N" ;
skos:altLabel "n-(carboxymethyl)-n,n-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide"@nl ;
skos:broader csc:CHEMONTID_0002404 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Capstone B (CDPOS)" ;
skos:prefLabel "N-(carboxymethyl)-N,N-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide"@nl .
csc:ZKRSTHSWOFIHMZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3036943 ;
dbo:casNumber "28680-44-6" ;
dbo:formula "C7H2Cl6" ;
dbo:inchi "InChI=1S/C7H2Cl6/c8-2-3(9)7(13)1-6(2,12)4(10)5(7)11/h1H2" ;
dbo:iupacName "1,2,3,4,5,6-hexachlorobicyclo[2.2.1]hepta-2,5-diene"@en ;
dbo:pubchem "3036943"^^xsd:int ;
dbo:smiles "C1C2(C(=C(C1(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "ZKRSTHSWOFIHMZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxClbcc22125" ;
skos:prefLabel "hexachloor-biclyclo(2,2,1)-2,5-heptadieen"@nl .
csc:QGHREAKMXXNCOA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3085 ;
dbo:casNumber "50814-12-5" , "23564-05-8" ;
dbo:formula "C12H14N4O4S2" ;
dbo:inchi "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)" ;
dbo:iupacName "methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate"@en ;
dbo:pubchem "3085"^^xsd:int ;
dbo:smiles "COC(=O)N=C(NC1=CC=CC=C1NC(=NC(=O)OC)S)S" ;
dbp:inchikey "QGHREAKMXXNCOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnC1y" ;
skos:prefLabel "thiofanaat-methyl"@nl .
csc:UZVHFVZFNXBMQJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2481 ;
dbo:casNumber "77-26-9" ;
dbo:formula "C11H16N2O3" ;
dbo:inchi "InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "2481"^^xsd:int ;
dbo:smiles "CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C" ;
dbp:inchikey "UZVHFVZFNXBMQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butbtl" ;
skos:prefLabel "butalbital"@nl .
csc:TUAHORSUHVUKBD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9136 ;
dbo:casNumber "195-19-7" ;
dbo:formula "C18H12" ;
dbo:inchi "InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H" ;
dbo:iupacName "Benzo[c]phenanthrene"@en ;
dbo:pubchem "9136"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3" ;
dbp:inchikey "TUAHORSUHVUKBD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BcFen" ;
skos:prefLabel "benzo(c)fenantreen"@nl .
csc:WOZQBERUBLYCEG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:15969 ;
dbo:casNumber "1918-18-9" ;
dbo:formula "C8H7Cl2NO2" ;
dbo:inchi "InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)" ;
dbo:iupacName "Methyl N-(3,4-dichlorophenyl)carbamate"@en ;
dbo:pubchem "15969"^^xsd:int ;
dbo:smiles "COC(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "WOZQBERUBLYCEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "swep" ;
skos:prefLabel "swep"@nl .
csc:YYGNTYWPHWGJRM-AAJYLUCBSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:638072 ;
dbo:casNumber "7683-64-9" , "111-02-4" , "94016-35-0" ;
dbo:formula "C30H50" ;
dbo:inchi "InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+" ;
dbo:iupacName "['2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene', '(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene', '(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene']"@en ;
dbo:pubchem "638072"^^xsd:int ;
dbo:smiles "CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C" ;
dbp:inchikey "YYGNTYWPHWGJRM-AAJYLUCBSA-N" ;
skos:broader csc:CHEMONTID_0001553 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "squaln" ;
skos:prefLabel "squaleen"@nl .
csc:SUPCQIBBMFXVTL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7343 ;
dbo:casNumber "97-63-2" , "187170-02-1" , "128440-92-6" , "61584-93-8" , "137431-11-9" , "179799-95-2" , "133775-64-1" , "9003-42-3" ;
dbo:formula "C6H10O2" ;
dbo:inchi "InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3" ;
dbo:iupacName "ethyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "7343"^^xsd:int ;
dbo:smiles "CCOC(=O)C(=C)C" ;
dbp:inchikey "SUPCQIBBMFXVTL-UHFFFAOYSA-N" ;
skos:altLabel "ethylmetacrylaat"@nl ;
skos:broader csc:CHEMONTID_0003626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2ymtclt" ;
skos:prefLabel "ethylmethacrylaat"@nl .
csc:SIDINRCMMRKXGQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:77222 ;
dbo:casNumber "2058-94-8" ;
dbo:formula "C11HF21O2" ;
dbo:inchi "InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoic acid"@en ;
dbo:pubchem "77222"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "SIDINRCMMRKXGQ-UHFFFAOYSA-N" ;
skos:altLabel "perfluorundecaanzuur"@nl , "perfluorundecaanzuur (pfunda)"@nl , "perfluor-n-undecaanzuur (pfunda)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFUdA" , "PFUnDA" ;
skos:prefLabel "perfluor-n-undecaanzuur"@nl .
csc:KFAKZJUYBOYVKA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29572 ;
dbo:casNumber "19398-61-9" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3" ;
dbo:iupacName "1,4-dichloro-2-methylbenzene"@en ;
dbo:pubchem "29572"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)Cl" ;
dbp:inchikey "KFAKZJUYBOYVKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DClTol" ;
skos:prefLabel "2,5-dichloortolueen"@nl .
csc:XNWFRZJHXBZDAG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8019 ;
dbo:casNumber "193008-24-1" , "72664-19-8" , "189209-93-6" , "138753-86-3" , "207799-14-2" , "102868-77-9" , "134919-42-9" , "163733-28-6" , "57244-93-6" , "158360-78-2" , "86002-19-9" , "212969-32-9" , "54386-07-1" , "69592-91-2" , "142172-77-8" , "163294-10-8" , "104841-59-0" , "166441-82-3" , "195970-98-0" , "64543-87-9" , "9004-74-4" , "165338-17-0" , "109-86-4" , "146162-92-7" , "154701-70-9" , "91826-72-1" , "95507-78-1" , "126966-17-4" , "95507-80-5" , "12623-96-0" , "77102-87-5" , "187523-66-6" , "41396-14-9" , "185250-24-2" , "154885-26-4" , "162582-19-6" , "178613-33-7" , "216693-45-7" ;
dbo:formula "C3H8O2" ;
dbo:inchi "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" ;
dbo:iupacName "2-Methoxyethanol"@en ;
dbo:pubchem "8019"^^xsd:int ;
dbo:smiles "COCCO" ;
dbp:inchikey "XNWFRZJHXBZDAG-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_003 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1oxC2ol" ;
skos:prefLabel "2-methoxyethanol"@nl .
csc:WPYCRFCQABTEKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7586 ;
dbo:casNumber "168331-52-0" , "101-90-6" ;
dbo:formula "C12H14O4" ;
dbo:inchi "InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2" ;
dbo:iupacName "2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane"@en ;
dbo:pubchem "7586"^^xsd:int ;
dbo:smiles "C1C(O1)COC2=CC(=CC=C2)OCC3CO3" ;
dbp:inchikey "WPYCRFCQABTEKC-UHFFFAOYSA-N" ;
skos:altLabel "diglycidyl resorcinol ether (DGRE)"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DGRE" ;
skos:prefLabel "diglycidyl resorcinol ether (dgre)"@nl .
csc:SIGSPDASOTUPFS-KQMXEUTGSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43249 ;
dbo:casNumber "60282-87-3" ;
dbo:formula "C21H26O2" ;
dbo:inchi "InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16?,17?,18?,19?,20?,21-/m0/s1" ;
dbo:iupacName "(17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "43249"^^xsd:int ;
dbo:smiles "CCC12CCC3C(C1C=CC2(C#C)O)CCC4=CC(=O)CCC34" ;
dbp:inchikey "SIGSPDASOTUPFS-KQMXEUTGSA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gesdn" ;
skos:prefLabel "gestodeen"@nl .
csc:QCWXUUIWCKQGHC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23995 ;
dbo:casNumber "141631-77-8" , "7440-67-7" , "141631-75-6" , "182260-46-4" , "141631-74-5" ;
dbo:formula "Zr" ;
dbo:inchi "InChI=1S/Zr" ;
dbo:iupacName "ZIRCONIUM"@en ;
dbo:pubchem "23995"^^xsd:int ;
dbo:smiles "[Zr]" ;
dbp:inchikey "QCWXUUIWCKQGHC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:CMA_2_I_B.1 , co:WAC_III_B_010 ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Zr" ;
skos:prefLabel "zirkonium"@nl .
csc:RFHAOTPXVQNOHP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3365 ;
dbo:casNumber "86386-73-4" ;
dbo:formula "C13H12F2N6O" ;
dbo:inchi "InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2" ;
dbo:iupacName "2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol"@en ;
dbo:pubchem "3365"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O" ;
dbp:inchikey "RFHAOTPXVQNOHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flucnzl" ;
skos:prefLabel "fluconazol"@nl .
csc:TUNFSRHWOTWDNC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11005 ;
dbo:casNumber "45184-05-2" , "544-63-8" , "32112-52-0" ;
dbo:formula "C14H28O2" ;
dbo:inchi "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" ;
dbo:iupacName "Tetradecanoic acid"@en ;
dbo:pubchem "11005"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "TUNFSRHWOTWDNC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C14azr" ;
skos:prefLabel "tetradecaanzuur"@nl .
csc:MUJOIMFVNIBMKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86398 ;
dbo:casNumber "131341-86-1" ;
dbo:formula "C12H6F2N2O2" ;
dbo:inchi "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" ;
dbo:iupacName "4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile"@en ;
dbo:pubchem "86398"^^xsd:int ;
dbo:smiles "C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N" ;
dbp:inchikey "MUJOIMFVNIBMKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fludoxnl" ;
skos:prefLabel "fludioxonil"@nl .
csc:OJIBJRXMHVZPLV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:66967 ;
dbo:casNumber "110-34-9" ;
dbo:formula "C20H40O2" ;
dbo:inchi "InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h19H,4-18H2,1-3H3" ;
dbo:iupacName "2-Methylpropyl hexadecanoate"@en ;
dbo:pubchem "66967"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC(=O)OCC(C)C" ;
dbp:inchikey "OJIBJRXMHVZPLV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC3yC16ao" ;
skos:prefLabel "2-methylpropylhexadecanoaat"@nl .
csc:QZZGJDVWLFXDLK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11197 ;
dbo:casNumber "557-59-5" ;
dbo:formula "C24H48O2" ;
dbo:inchi "InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)" ;
dbo:iupacName "Tetracosanoic acid"@en ;
dbo:pubchem "11197"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "QZZGJDVWLFXDLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C24azr" ;
skos:prefLabel "tetracosaanzuur"@nl .
csc:KPHWPUGNDIVLNH-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:27194 ;
dbo:casNumber "15307-79-6" ;
dbo:formula "C14H10Cl2NNaO2" ;
dbo:inchi "InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1" ;
dbo:iupacName "sodium 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate"@en ;
dbo:pubchem "27194"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]" ;
dbp:inchikey "KPHWPUGNDIVLNH-UHFFFAOYSA-M" ;
skos:exactMatch wise:CAS_15307-79-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "diclofenac, natrium"@nl ;
vcs:vmmParameterId "1530"^^xsd:int .
csc:KXGYBSNVFXBPNO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23715 ;
dbo:casNumber "7287-36-7" ;
dbo:formula "C13H18ClNO" ;
dbo:inchi "InChI=1S/C13H18ClNO/c1-4-9-13(2,3)12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)" ;
dbo:iupacName "N-(4-Chlorophenyl)-2,2-dimethylpentanamide"@en ;
dbo:pubchem "23715"^^xsd:int ;
dbo:smiles "CCCC(C)(C)C(=O)NC1=CC=C(C=C1)Cl" ;
dbp:inchikey "KXGYBSNVFXBPNO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "monlde" ;
skos:prefLabel "monalide"@nl .
csc:IIACRCGMVDHOTQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5987 ;
dbo:casNumber "5329-14-6" ;
dbo:formula "H3NO3S" ;
dbo:inchi "InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)" ;
dbo:iupacName "Sulfamic acid"@en ;
dbo:pubchem "5987"^^xsd:int ;
dbo:smiles "NS(=O)(=O)O" ;
dbp:inchikey "IIACRCGMVDHOTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfAezr" ;
skos:prefLabel "sulfaminezuur"@nl .
csc:ZHTROMYSDSTCCE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:137818 ;
dbo:casNumber "3075-84-1" ;
dbo:formula "C16H18" ;
dbo:inchi "InChI=1S/C16H18/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3" ;
dbo:iupacName "2-(2,5-dimethylphenyl)-1,4-dimethylbenzene"@en ;
dbo:pubchem "137818"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)C2=C(C=CC(=C2)C)C" ;
dbp:inchikey "ZHTROMYSDSTCCE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2255T4C1y11b" ;
skos:prefLabel "2,2',5,5'-tetramethyl-1,1'-bifenyl"@nl .
csc:CIOAGBVUUVVLOB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5359327 ;
dbo:casNumber "7440-24-6" ;
dbo:formula "Sr" ;
dbo:inchi "InChI=1S/Sr" ;
dbo:iupacName "STRONTIUM"@en ;
dbo:pubchem "5359327"^^xsd:int ;
dbo:smiles "[Sr]" ;
dbp:inchikey "CIOAGBVUUVVLOB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:exactMatch wise:CAS_7440-24-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sr" ;
skos:prefLabel "strontium"@nl ;
vcs:vmmParameterId "186"^^xsd:int , "185"^^xsd:int , "1970"^^xsd:int , "187"^^xsd:int .
csc:UCVPKAZCQPRWAY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:220773 ;
dbo:casNumber "523-31-9" ;
dbo:formula "C22H18O4" ;
dbo:inchi "InChI=1S/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2" ;
dbo:iupacName "bis(phenylmethyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "220773"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3" ;
dbp:inchikey "UCVPKAZCQPRWAY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DbzFt" ;
skos:prefLabel "dibenzylftalaat"@nl .
csc:HRPVXLWXLXDGHG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6579 ;
dbo:casNumber "79-06-1" , "9003-05-8" ;
dbo:formula "C3H5NO" ;
dbo:inchi "InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)" ;
dbo:iupacName "prop-2-enamide"@en ;
dbo:pubchem "6579"^^xsd:int ;
dbo:smiles "C=CC(=O)N" ;
dbp:inchikey "HRPVXLWXLXDGHG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002484 ;
skos:exactMatch wise:CAS_79-06-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acAd" ;
skos:prefLabel "acrylamide"@nl ;
vcs:vmmParameterId "1531"^^xsd:int .
csc:DMLAVOWQYNRWNQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2272 ;
dbo:casNumber "1080-16-6" , "103-33-3" , "17082-12-1" ;
dbo:formula "C12H10N2" ;
dbo:inchi "InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "di(phenyl)diazene"@en ;
dbo:pubchem "2272"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N=NC2=CC=CC=C2" ;
dbp:inchikey "DMLAVOWQYNRWNQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azBen" ;
skos:prefLabel "azobenzeen"@nl .
csc:ZUVPLKVDZNDZCM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6894 ;
dbo:casNumber "87-60-5" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3" ;
dbo:iupacName "3-Chloro-2-methylaniline"@en ;
dbo:pubchem "6894"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1Cl)N" ;
dbp:inchikey "ZUVPLKVDZNDZCM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:exactMatch wise:CAS_87-60-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl2C1yAn" ;
skos:prefLabel "3-chloor-2-methylaniline"@nl ;
vcs:vmmParameterId "768"^^xsd:int .
csc:XKJCHHZQLQNZHY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6809 ;
dbo:casNumber "85-41-6" ;
dbo:formula "C8H5NO2" ;
dbo:inchi "InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)" ;
dbo:iupacName "Isoindole-1,3-dione"@en ;
dbo:pubchem "6809"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)NC2=O" ;
dbp:inchikey "XKJCHHZQLQNZHY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ftalmde" ;
skos:prefLabel "ftalimide"@nl .
csc:YLYBTZIQSIBWLI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8164 ;
dbo:casNumber "112-14-1" ;
dbo:formula "C10H20O2" ;
dbo:inchi "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3" ;
dbo:iupacName "Octyl acetate"@en ;
dbo:pubchem "8164"^^xsd:int ;
dbo:smiles "CCCCCCCCOC(=O)C" ;
dbp:inchikey "YLYBTZIQSIBWLI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001722 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8yactt" ;
skos:prefLabel "octylacetaat"@nl .
csc:ACWBQPMHZXGDFX-QFIPXVFZSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:60846 ;
dbo:casNumber "137862-53-4" ;
dbo:formula "C24H29N5O3" ;
dbo:inchi "InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1" ;
dbo:iupacName "(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid"@en ;
dbo:pubchem "60846"^^xsd:int ;
dbo:smiles "CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O" ;
dbp:inchikey "ACWBQPMHZXGDFX-QFIPXVFZSA-N" ;
skos:broader csc:CHEMONTID_0004310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "valstan" ;
skos:prefLabel "valsartan"@nl .
csc:WBPYTXDJUQJLPQ-VMXQISHHSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5280440 ;
dbo:casNumber "1401-69-0" ;
dbo:formula "C46H77NO17" ;
dbo:inchi "InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1" ;
dbo:iupacName "2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde"@en ;
dbo:pubchem "5280440"^^xsd:int ;
dbo:smiles "CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC" ;
dbp:inchikey "WBPYTXDJUQJLPQ-VMXQISHHSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tylsne" ;
skos:prefLabel "tylosine"@nl .
csc:FFGPTBGBLSHEPO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2554 ;
dbo:casNumber "298-46-4" ;
dbo:formula "C15H12N2O" ;
dbo:inchi "InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)" ;
dbo:iupacName "benzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "2554"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N" ;
dbp:inchikey "FFGPTBGBLSHEPO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:exactMatch wise:CAS_298-46-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbmzpne" ;
skos:prefLabel "carbamazepine"@nl ;
vcs:vmmParameterId "1396"^^xsd:int .
csc:NNMHYFLPFNGQFZ-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24013 ;
dbo:casNumber "39301-03-6" , "88402-97-5" , "83856-16-0" , "25549-84-2" , "162122-62-5" , "65852-60-0" , "87912-58-1" , "74434-55-2" , "183599-07-7" , "124740-94-9" , "88895-33-4" , "67167-12-8" , "87210-28-4" , "65852-59-7" , "7446-81-3" , "72870-55-4" , "136753-34-9" , "8049-78-3" , "95077-68-2" , "100359-37-3" , "105287-10-3" , "9003-04-7" , "170427-67-5" , "114355-16-7" , "76559-77-8" , "56048-09-0" , "9080-35-7" , "199453-47-9" , "39283-05-1" , "123140-08-9" , "75718-67-1" , "126123-84-0" , "129979-04-0" , "135842-81-8" , "28603-11-4" , "113536-69-9" , "77847-76-8" , "44196-70-5" , "63993-69-1" , "25052-79-3" , "9003-01-4" , "64441-46-9" , "67017-21-4" , "138961-78-1" ;
dbo:formula "C3H3NaO2" ;
dbo:inchi "InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1" ;
dbo:iupacName "sodium prop-2-enoate"@en ;
dbo:pubchem "24013"^^xsd:int ;
dbo:smiles "C=CC(=O)[O-].[Na+]" ;
dbp:inchikey "NNMHYFLPFNGQFZ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004451 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "polaclt" ;
skos:prefLabel "polyacrylaat"@nl .
csc:NSPMIYGKQJPBQR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9257 ;
dbo:casNumber "116421-29-5" , "288-88-0" , "288-89-1" , "63598-71-0" , "25167-73-1" , "27236-77-7" ;
dbo:formula "C2H3N3" ;
dbo:inchi "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" ;
dbo:iupacName "1H-1,2,4-Triazole"@en ;
dbo:pubchem "9257"^^xsd:int ;
dbo:smiles "C1=NC=NN1" ;
dbp:inchikey "NSPMIYGKQJPBQR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "124Tazl" ;
skos:prefLabel "1,2,4-triazool"@nl .
csc:IPCSVZSSVZVIGE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:985 ;
dbo:casNumber "67701-02-4" , "212625-86-0" , "57-10-3" , "60605-23-4" , "116860-99-2" , "66321-94-6" ;
dbo:formula "C16H32O2" ;
dbo:inchi "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" ;
dbo:iupacName "Hexadecanoic acid"@en ;
dbo:pubchem "985"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "IPCSVZSSVZVIGE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C16azr" ;
skos:prefLabel "hexadecaanzuur"@nl .
csc:GXAMYUGOODKVRM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10087 ;
dbo:casNumber "467-69-6" ;
dbo:formula "C14H10O3" ;
dbo:inchi "InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)" ;
dbo:iupacName "9-Hydroxyfluorene-9-carboxylic acid"@en ;
dbo:pubchem "10087"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)O)O" ;
dbp:inchikey "GXAMYUGOODKVRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurnl" ;
skos:prefLabel "flurenol"@nl .
csc:VLPFTAMPNXLGLX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10850 ;
dbo:casNumber "538-23-8" , "114355-15-6" ;
dbo:formula "C27H50O6" ;
dbo:inchi "InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3" ;
dbo:iupacName "2,3-di(octanoyloxy)propyl octanoate"@en ;
dbo:pubchem "10850"^^xsd:int ;
dbo:smiles "CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC" ;
dbp:inchikey "VLPFTAMPNXLGLX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001135 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycrTocnat" ;
skos:prefLabel "glyceroltrioctanoaat"@nl .
csc:NKTOLZVEWDHZMU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7267 ;
dbo:casNumber "145929-31-3" , "50356-12-2" , "95-87-4" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3" ;
dbo:iupacName "2,5-Dimethylphenol"@en ;
dbo:pubchem "7267"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)O" ;
dbp:inchikey "NKTOLZVEWDHZMU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004215 ;
skos:exactMatch wise:CAS_95-87-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1yFol" ;
skos:prefLabel "2,5-dimethylfenol"@nl ;
vcs:vmmParameterId "700"^^xsd:int .
csc:DSSYKIVIOFKYAU-OMNKOJBGSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10050 ;
dbo:casNumber "464-48-2" ;
dbo:formula "C10H16O" ;
dbo:inchi "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7?,10-/m1/s1" ;
dbo:iupacName "(1S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one"@en ;
dbo:pubchem "10050"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(=O)C2)C)C" ;
dbp:inchikey "DSSYKIVIOFKYAU-OMNKOJBGSA-N" ;
skos:altLabel "(1s)-kamfer"@nl ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1skamfr" ;
skos:prefLabel "(1S)-kamfer"@nl .
csc:KLAPGAOQRZTCBI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9011 ;
dbo:casNumber "150-50-5" ;
dbo:formula "C12H27PS3" ;
dbo:inchi "InChI=1S/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3" ;
dbo:iupacName "tris(butylsulfanyl)phosphane"@en ;
dbo:pubchem "9011"^^xsd:int ;
dbo:smiles "CCCCSP(SCCCC)SCCCC" ;
dbp:inchikey "KLAPGAOQRZTCBI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "merfs" ;
skos:prefLabel "merfos"@nl .
csc:IQGKIPDJXCAMSM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:93422 ;
dbo:casNumber "72459-58-6" ;
dbo:formula "C10H6ClN5O" ;
dbo:inchi "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" ;
dbo:iupacName "7-chloro-3-imidazol-1-yl-1-oxido-1,2,4-benzotriazin-1-ium"@en ;
dbo:pubchem "93422"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C1Cl)[N+](=NC(=N2)N3C=CN=C3)[O-]" ;
dbp:inchikey "IQGKIPDJXCAMSM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004107 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TazO" ;
skos:prefLabel "triazoxide"@nl .
csc:SRCNPEKLEHSVCL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61104 ;
dbo:casNumber "354-11-0" ;
dbo:formula "C2HCl4F" ;
dbo:inchi "InChI=1S/C2HCl4F/c3-1(7)2(4,5)6/h1H" ;
dbo:iupacName "1,1,1,2-Tetrachloro-2-fluoroethane"@en ;
dbo:pubchem "61104"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)(F)Cl" ;
dbp:inchikey "SRCNPEKLEHSVCL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK121a" ;
skos:prefLabel "1,1,1,2-tetrachloor-2-fluorethaan"@nl .
csc:CRDAMVZIKSXKFV-YFVJMOTDSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:445070 ;
dbo:casNumber "106-28-5" , "4602-84-0" ;
dbo:formula "C15H26O" ;
dbo:inchi "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+" ;
dbo:iupacName "['3,7,11-trimethyldodeca-2,6,10-trien-1-ol', '(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol']"@en ;
dbo:pubchem "445070"^^xsd:int ;
dbo:smiles "CC(=CCCC(=CCCC(=CCO)C)C)C" ;
dbp:inchikey "CRDAMVZIKSXKFV-YFVJMOTDSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "farnsl" ;
skos:prefLabel "farnesol"@nl .
csc:ASXBYYWOLISCLQ-ZCTIVXDHSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6602480 ;
dbo:casNumber "128-46-1" ;
dbo:formula "C21H41N7O12" ;
dbo:inchi "InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1" ;
dbo:iupacName "2-[(1R,2S,3S,4R,5S,6S)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine"@en ;
dbo:pubchem "6602480"^^xsd:int ;
dbo:smiles "CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O" ;
dbp:inchikey "ASXBYYWOLISCLQ-ZCTIVXDHSA-N" ;
skos:broader csc:CHEMONTID_0001675 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHstreptmcne" ;
skos:prefLabel "dihydrostreptomycine"@nl .
csc:GVEPBJHOBDJJJI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9154 ;
dbo:casNumber "206-44-0" , "76774-50-0" ;
dbo:formula "C16H10" ;
dbo:inchi "InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H" ;
dbo:iupacName "FLUORANTHENE"@en ;
dbo:pubchem "9154"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4" ;
dbp:inchikey "GVEPBJHOBDJJJI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "fluoranteen"@nl , "fluorantheen"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_206-44-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Flu" ;
skos:prefLabel "fluorantheen (b)"@nl ;
vcs:vmmParameterId "1430"^^xsd:int , "429"^^xsd:int .
csc:HGINCPLSRVDWNT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7847 ;
dbo:casNumber "107-02-8" , "25068-14-8" , "25314-61-8" ;
dbo:formula "C3H4O" ;
dbo:inchi "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" ;
dbo:iupacName "prop-2-enal"@en ;
dbo:pubchem "7847"^^xsd:int ;
dbo:smiles "C=CC=O" ;
dbp:inchikey "HGINCPLSRVDWNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002436 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acAh" ;
skos:prefLabel "acrylaldehyde"@nl .
csc:INFDPOAKFNIJBF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15939 ;
dbo:casNumber "4685-14-7" , "116047-10-0" ;
dbo:formula "C12H14N2+2" ;
dbo:inchi "InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2" ;
dbo:iupacName "1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium"@en ;
dbo:pubchem "15939"^^xsd:int ;
dbo:smiles "C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C" ;
dbp:inchikey "INFDPOAKFNIJBF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000326 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "parqt" ;
skos:prefLabel "paraquat"@nl .
csc:NYPJDWWKZLNGGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3347 ;
dbo:casNumber "131641-62-8" , "67614-33-9" , "51630-58-1" , "67614-32-8" , "66267-77-4" ;
dbo:formula "C25H22ClNO3" ;
dbo:inchi "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methylbutanoate"@en ;
dbo:pubchem "3347"^^xsd:int ;
dbo:smiles "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "NYPJDWWKZLNGGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenvlrt" ;
skos:prefLabel "fenvaleraat"@nl .
csc:LRNJHZNPJSPMGK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:25669 ;
dbo:casNumber "34460-46-3" , "13067-93-1" , "62421-62-9" , "62421-63-0" , "62421-61-8" ;
dbo:formula "C15H14NO2PS" ;
dbo:inchi "InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3" ;
dbo:iupacName "4-(ethoxy-phenylphosphinothioyl)oxybenzonitrile"@en ;
dbo:pubchem "25669"^^xsd:int ;
dbo:smiles "CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)C#N" ;
dbp:inchikey "LRNJHZNPJSPMGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004767 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyanffs" ;
skos:prefLabel "cyanofenfos"@nl .
csc:WDECIBYCCFPHNR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9171 ;
dbo:casNumber "65777-08-4" , "218-01-9" , "27274-05-1" ;
dbo:formula "C18H12" ;
dbo:inchi "InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H" ;
dbo:iupacName "Chrysene"@en ;
dbo:pubchem "9171"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43" ;
dbp:inchikey "WDECIBYCCFPHNR-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0001142 ;
skos:exactMatch wise:CAS_218-01-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Chr" ;
skos:prefLabel "chryseen"@nl ;
vcs:vmmParameterId "425"^^xsd:int , "1427"^^xsd:int .
csc:QVYRGXJJSLMXQH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4601 ;
dbo:casNumber "83-98-7" ;
dbo:formula "C18H23NO" ;
dbo:inchi "InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3" ;
dbo:iupacName "N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine"@en ;
dbo:pubchem "4601"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C" ;
dbp:inchikey "QVYRGXJJSLMXQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "orfadne" ;
skos:prefLabel "orfenadrine"@nl .
csc:JJCFRYNCJDLXIK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2913 ;
dbo:casNumber "129-03-3" ;
dbo:formula "C21H21N" ;
dbo:inchi "InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3" ;
dbo:iupacName "1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine"@en ;
dbo:pubchem "2913"^^xsd:int ;
dbo:smiles "CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1" ;
dbp:inchikey "JJCFRYNCJDLXIK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cypHpdne" ;
skos:prefLabel "cyproheptadine"@nl .
csc:WHDGWKAJBYRJJL-UHFFFAOYSA-K
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26710 ;
dbo:casNumber "14484-64-1" , "64070-92-4" , "21696-59-3" , "301-05-3" , "13494-27-4" ;
dbo:formula "C9H18FeN3S6" ;
dbo:inchi "InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3" ;
dbo:iupacName "dimethylaminomethanedithioate; iron(+3) cation"@en ;
dbo:pubchem "26710"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]" ;
dbp:inchikey "WHDGWKAJBYRJJL-UHFFFAOYSA-K" ;
skos:broader csc:CHEMONTID_0003997 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ferbm" ;
skos:prefLabel "ferbam"@nl .
csc:ULDHMXUKGWMISQ-VIFPVBQESA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16724 ;
dbo:casNumber "2244-16-8" , "53763-73-8" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1" ;
dbo:iupacName "(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one"@en ;
dbo:pubchem "16724"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1=O)C(=C)C" ;
dbp:inchikey "ULDHMXUKGWMISQ-VIFPVBQESA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dcarvn" ;
skos:prefLabel "d-carvon"@nl .
csc:CGIGDMFJXJATDK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3715 ;
dbo:casNumber "37242-43-6" , "53-86-1" , "91853-74-6" ;
dbo:formula "C19H16ClNO4" ;
dbo:inchi "InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)" ;
dbo:iupacName "2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid"@en ;
dbo:pubchem "3715"^^xsd:int ;
dbo:smiles "CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O" ;
dbp:inchikey "CGIGDMFJXJATDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001753 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indmtcne" ;
skos:prefLabel "indometacine"@nl .
csc:SNXPWYFWAZVIAU-GKFVBPDJSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5367369 ;
dbo:casNumber "1808-26-0" ;
dbo:formula "C22H36O2" ;
dbo:inchi "InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3/b9-8-,12-11-,15-14-,18-17-" ;
dbo:iupacName "ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate"@en ;
dbo:pubchem "5367369"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC" ;
dbp:inchikey "SNXPWYFWAZVIAU-GKFVBPDJSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cC20aTzrC2y" ;
skos:prefLabel "cis-5,8,11,14-eicosatertaeenzuur ethylester"@nl .
csc:FUSGACRLAFQQRL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12967 ;
dbo:casNumber "2151-05-5" , "759-73-9" ;
dbo:formula "C3H7N3O2" ;
dbo:inchi "InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)" ;
dbo:iupacName "1-Ethyl-1-nitrosourea"@en ;
dbo:pubchem "12967"^^xsd:int ;
dbo:smiles "CCN(C(=O)N)N=O" ;
dbp:inchikey "FUSGACRLAFQQRL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2y1NO2sura" ;
skos:prefLabel "1-ethyl-1-nitrosourea"@nl .
csc:VTHRQKSLPFJQHN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:76921 ;
dbo:casNumber "3386-87-6" ;
dbo:formula "C8H12N2O2" ;
dbo:inchi "InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2" ;
dbo:iupacName "3-[2-(2-cyanoethoxy)ethoxy]propanenitrile"@en ;
dbo:pubchem "76921"^^xsd:int ;
dbo:smiles "C(COCCOCCC#N)C#N" ;
dbp:inchikey "VTHRQKSLPFJQHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33C2yeDoxDpp" ;
skos:prefLabel "3,3'-(ethyleendioxy)dipropiononitril"@nl .
csc:XMROPFQWHHUFFS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16663 ;
dbo:casNumber "2216-32-2" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3" ;
dbo:iupacName "4-ETHYLHEPTANE"@en ;
dbo:pubchem "16663"^^xsd:int ;
dbo:smiles "CCCC(CC)CCC" ;
dbp:inchikey "XMROPFQWHHUFFS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2yC7a" ;
skos:prefLabel "4-ethylheptaan"@nl .
csc:CWYNVVGOOAEACU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:27284 ;
dbo:casNumber "15438-31-0" ;
dbo:formula "Fe+2" ;
dbo:inchi "InChI=1S/Fe/q+2" ;
dbo:iupacName "iron(+2) cation"@en ;
dbo:pubchem "27284"^^xsd:int ;
dbo:smiles "[Fe+2]" ;
dbp:inchikey "CWYNVVGOOAEACU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeII" ;
skos:prefLabel "ijzer (tweewaardig)"@nl .
csc:FJDPATXIBIBRIM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38283 ;
dbo:casNumber "39515-40-7" ;
dbo:formula "C24H25NO3" ;
dbo:inchi "InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "38283"^^xsd:int ;
dbo:smiles "CC(=CC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C" ;
dbp:inchikey "FJDPATXIBIBRIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyfntn" ;
skos:prefLabel "cyfenothrin"@nl .
csc:KZUSAXRVIONPJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2776093 ;
dbo:casNumber "172155-07-6" ;
dbo:formula "C10HF19O2" ;
dbo:inchi "InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,8(21,22)23)5(15,16)7(19,20)6(17,18)4(14,9(24,25)26)10(27,28)29/h(H,30,31)" ;
dbo:iupacName "2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)octanoic acid"@en ;
dbo:pubchem "2776093"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)O" ;
dbp:inchikey "KZUSAXRVIONPJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "P37DMOA" ;
skos:prefLabel "perfluor-3-7-dimethyloctaanzuur"@nl .
csc:QSLMDECMDJKHMQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4011 ;
dbo:casNumber "10262-69-8" ;
dbo:formula "C20H23N" ;
dbo:inchi "InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3" ;
dbo:iupacName "N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine"@en ;
dbo:pubchem "4011"^^xsd:int ;
dbo:smiles "CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24" ;
dbp:inchikey "QSLMDECMDJKHMQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000018 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "maptlne" ;
skos:prefLabel "maprotiline"@nl .
csc:RWTNPBWLLIMQHL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3348 ;
dbo:casNumber "83799-24-0" , "159389-12-5" , "76815-58-2" ;
dbo:formula "C32H39NO4" ;
dbo:inchi "InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)" ;
dbo:iupacName "2-[4-[1-hydroxy-4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid"@en ;
dbo:pubchem "3348"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O" ;
dbp:inchikey "RWTNPBWLLIMQHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fexfndne" ;
skos:prefLabel "fexofenadine"@nl .
csc:TULCXSBAPHCWCF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36218 ;
dbo:casNumber "32690-93-0" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-11(15)12(16)6-10(9)14/h1-6H" ;
dbo:iupacName "1,2,4-trichloro-5-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "36218"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "TULCXSBAPHCWCF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB74" ;
skos:prefLabel "2,4,4',5-tetrachloorbifenyl"@nl .
csc:RUKISNQKOIKZGT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8407 ;
dbo:casNumber "119-75-5" ;
dbo:formula "C12H10N2O2" ;
dbo:inchi "InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H" ;
dbo:iupacName "['N-hydroxy-2-(phenylamino)benzeneamine oxide', 'N-oxido-N-[2-(phenylamino)phenyl]hydroxylamine', '2-Nitro-N-phenylaniline']"@en ;
dbo:pubchem "8407"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]" ;
dbp:inchikey "RUKISNQKOIKZGT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2DFyAe" ;
skos:prefLabel "2-nitrodifenylamine"@nl .
csc:ZCJPOPBZHLUFHF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31070 ;
dbo:casNumber "22224-92-6" ;
dbo:formula "C13H22NO3PS" ;
dbo:inchi "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" ;
dbo:iupacName "N-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]propan-2-amine"@en ;
dbo:pubchem "31070"^^xsd:int ;
dbo:smiles "CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C" ;
dbp:inchikey "ZCJPOPBZHLUFHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:exactMatch wise:CAS_22224-92-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenamfs" ;
skos:prefLabel "fenamifos"@nl ;
vcs:vmmParameterId "1022"^^xsd:int .
csc:FKLFBQCQQYDUAM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91724 ;
dbo:casNumber "74738-17-3" ;
dbo:formula "C11H6Cl2N2" ;
dbo:inchi "InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H" ;
dbo:iupacName "4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile"@en ;
dbo:pubchem "91724"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=CNC=C2C#N" ;
dbp:inchikey "FKLFBQCQQYDUAM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenpcnl" ;
skos:prefLabel "fenpiclonil"@nl .
csc:XNCNNDVCAUWAIT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7826 ;
dbo:casNumber "106-73-0" ;
dbo:formula "C8H16O2" ;
dbo:inchi "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3" ;
dbo:iupacName "METHYL HEPTANOATE"@en ;
dbo:pubchem "7826"^^xsd:int ;
dbo:smiles "CCCCCCC(=O)OC" ;
dbp:inchikey "XNCNNDVCAUWAIT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C7azrC1yEsr" ;
skos:prefLabel "heptaanzuur methylester"@nl .
csc:TZBPRYIIJAJUOY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31957 ;
dbo:casNumber "23505-41-1" ;
dbo:formula "C13H24N3O3PS" ;
dbo:inchi "InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3" ;
dbo:iupacName "4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine"@en ;
dbo:pubchem "31957"^^xsd:int ;
dbo:smiles "CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C" ;
dbp:inchikey "TZBPRYIIJAJUOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004771 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yprmfs" ;
skos:prefLabel "ethylpirimifos"@nl .
csc:AKCRQHGQIJBRMN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7240 ;
dbo:casNumber "27134-26-5" , "95-51-2" ;
dbo:formula "C6H6ClN" ;
dbo:inchi "InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2" ;
dbo:iupacName "2-Chloroaniline"@en ;
dbo:pubchem "7240"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)N)Cl" ;
dbp:inchikey "AKCRQHGQIJBRMN-UHFFFAOYSA-N" ;
skos:altLabel "2-chlooraniline"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_95-51-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClAn" ;
skos:prefLabel "o-chlooraniline"@nl ;
vcs:vmmParameterId "47"^^xsd:int .
csc:DURPTKYDGMDSBL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'dibutylether'"@nl ;
rdfs:seeAlso compound:8909 ;
dbo:casNumber "142-96-1" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" ;
dbo:iupacName "1-Butoxybutane"@en ;
dbo:pubchem "8909"^^xsd:int ;
dbo:smiles "CCCCOCCCC" ;
dbp:inchikey "DURPTKYDGMDSBL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_008 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "di-n-butylether"@nl .
csc:VDUWPHTZYNWKRN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2762 ;
dbo:casNumber "28657-80-9" ;
dbo:formula "C12H10N2O5" ;
dbo:inchi "InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)" ;
dbo:iupacName "1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid"@en ;
dbo:pubchem "2762"^^xsd:int ;
dbo:smiles "CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3" ;
dbp:inchikey "VDUWPHTZYNWKRN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000206 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cinoxacine"@nl .
csc:RENMDAKOXSCIGH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7856 ;
dbo:casNumber "107-14-2" , "1867-10-3" ;
dbo:formula "C2H2ClN" ;
dbo:inchi "InChI=1S/C2H2ClN/c3-1-2-4/h1H2" ;
dbo:iupacName "2-Chloroacetonitrile"@en ;
dbo:pubchem "7856"^^xsd:int ;
dbo:smiles "C(C#N)Cl" ;
dbp:inchikey "RENMDAKOXSCIGH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clactntl" ;
skos:prefLabel "chlooracetonitril"@nl .
csc:SZFRZEBLZFTODC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11270 ;
dbo:casNumber "61665-19-8" , "565-77-5" ;
dbo:formula "C8H16" ;
dbo:inchi "InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6H,1-5H3" ;
dbo:iupacName "2,3,4-trimethylpent-2-ene"@en ;
dbo:pubchem "11270"^^xsd:int ;
dbo:smiles "CC(C)C(=C(C)C)C" ;
dbp:inchikey "SZFRZEBLZFTODC-UHFFFAOYSA-N" ;
skos:altLabel "2,3,4-Trimethyl-2-penteen"@nl ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "234TC1y2C5e" ;
skos:prefLabel "2,3,4-trimethyl-2-penteen"@nl .
csc:GDSSTYXBZTUGSJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:176451 ;
dbo:casNumber "27176-95-0" ;
dbo:formula "C21H36O4" ;
dbo:inchi "InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-11-20-12-9-10-13-21(20)25-19-18-24-17-16-23-15-14-22/h9-10,12-13,22H,2-8,11,14-19H2,1H3" ;
dbo:iupacName "2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethanol"@en ;
dbo:pubchem "176451"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCOCCO" ;
dbp:inchikey "GDSSTYXBZTUGSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO3" ;
skos:prefLabel "nonylfenoltriethoxylaat"@nl .
csc:HFFLGKNGCAIQMO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6407 ;
dbo:casNumber "75-87-6" ;
dbo:formula "C2HCl3O" ;
dbo:inchi "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H" ;
dbo:iupacName "2,2,2-Trichloroacetaldehyde"@en ;
dbo:pubchem "6407"^^xsd:int ;
dbo:smiles "C(=O)C(Cl)(Cl)Cl" ;
dbp:inchikey "HFFLGKNGCAIQMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClC2al" ;
skos:prefLabel "trichloorethanal"@nl .
csc:SIGZQNJITOWQEF-VICXVTCVSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25962 ;
dbo:casNumber "3116-76-5" , "13412-64-1" ;
dbo:formula "C19H18Cl2N3NaO6S" ;
dbo:inchi "InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1" ;
dbo:iupacName "sodium (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate"@en ;
dbo:pubchem "25962"^^xsd:int ;
dbo:smiles "CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+]" ;
dbp:inchikey "SIGZQNJITOWQEF-VICXVTCVSA-M" ;
skos:broader csc:CHEMONTID_0001189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcloxclne" ;
skos:prefLabel "dicloxacilline"@nl .
csc:VMPITZXILSNTON-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7000 ;
dbo:casNumber "29191-52-4" , "90-04-0" ;
dbo:formula "C7H9NO" ;
dbo:inchi "InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3" ;
dbo:iupacName "2-Methoxyaniline"@en ;
dbo:pubchem "7000"^^xsd:int ;
dbo:smiles "COC1=CC=CC=C1N" ;
dbp:inchikey "VMPITZXILSNTON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1oxAn" ;
skos:prefLabel "2-methoxyaniline"@nl .
csc:BUGBHKTXTAQXES-AHCXROLUSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6328176 ;
dbo:casNumber "14265-71-5" ;
dbo:formula "Se" ;
dbo:inchi "InChI=1S/Se/i1-4" ;
dbo:iupacName "selenium-75"@en ;
dbo:pubchem "6328176"^^xsd:int ;
dbo:smiles "[Se]" ;
dbp:inchikey "BUGBHKTXTAQXES-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Se75" ;
skos:prefLabel "seleen 75"@nl .
csc:DDXLVDQZPFLQMZ-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8152 ;
dbo:casNumber "71061-07-9" , "10182-91-9" , "112-00-5" , "59680-23-8" , "37293-08-6" , "37380-56-6" , "108779-79-9" , "62395-69-1" ;
dbo:formula "C15H34ClN" ;
dbo:inchi "InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dodecyl-trimethylazanium chloride"@en ;
dbo:pubchem "8152"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)C.[Cl-]" ;
dbp:inchikey "DDXLVDQZPFLQMZ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12ylTC1ylNH" ;
skos:prefLabel "dodecyltrimethylammoniumchloride"@nl .
csc:WGOWCPGHOCIHBW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7328 ;
dbo:casNumber "11137-49-8" , "97-17-6" ;
dbo:formula "C10H13Cl2O3PS" ;
dbo:inchi "InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3" ;
dbo:iupacName "(2,4-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "7328"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "WGOWCPGHOCIHBW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcfton" ;
skos:prefLabel "dichlofenthion"@nl .
csc:MFESCIUQSIBMSM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8006 ;
dbo:casNumber "109-70-6" ;
dbo:formula "C3H6BrCl" ;
dbo:inchi "InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2" ;
dbo:iupacName "1-Bromo-3-chloropropane"@en ;
dbo:pubchem "8006"^^xsd:int ;
dbo:smiles "C(CCl)CBr" ;
dbp:inchikey "MFESCIUQSIBMSM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Br3ClC3a" ;
skos:prefLabel "1-broom-3-chloorpropaan"@nl .
csc:FGXWKSZFVQUSTL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3151 ;
dbo:casNumber "57808-66-9" ;
dbo:formula "C22H24ClN5O2" ;
dbo:inchi "InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)" ;
dbo:iupacName "6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one"@en ;
dbo:pubchem "3151"^^xsd:int ;
dbo:smiles "C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O" ;
dbp:inchikey "FGXWKSZFVQUSTL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "domperidon"@nl .
csc:JWAZRIHNYRIHIV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8663 ;
dbo:casNumber "1321-67-1" , "135-19-3" ;
dbo:formula "C10H8O" ;
dbo:inchi "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" ;
dbo:iupacName "naphthalen-2-ol"@en ;
dbo:pubchem "8663"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)O" ;
dbp:inchikey "JWAZRIHNYRIHIV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002441 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxNaf" ;
skos:prefLabel "2-naftol"@nl .
csc:HSYISQLUXXBNFW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:185719 ;
dbo:casNumber "30125-64-5" ;
dbo:formula "C8H15N5O" ;
dbo:inchi "InChI=1S/C8H15N5O/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)" ;
dbo:iupacName "N-tert-butyl-6-methoxy-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "185719"^^xsd:int ;
dbo:smiles "CC(C)(C)NC1=NC(=NC(=N1)N)OC" ;
dbp:inchikey "HSYISQLUXXBNFW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desC2ytbmtn" ;
skos:prefLabel "desethylterbumeton"@nl .
csc:PZBQVZFITSVHAW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66760 ;
dbo:casNumber "94-97-3" ;
dbo:formula "C6H4ClN3" ;
dbo:inchi "InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)" ;
dbo:iupacName "5-chloro-2H-benzotriazole"@en ;
dbo:pubchem "66760"^^xsd:int ;
dbo:smiles "C1=CC2=NNN=C2C=C1Cl" ;
dbp:inchikey "PZBQVZFITSVHAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5Clbztazl" ;
skos:prefLabel "5-chloorbenzotriazool"@nl .
csc:RDOXTESZEPMUJZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7519 ;
dbo:casNumber "100-66-3" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" ;
dbo:iupacName "Methoxybenzene"@en ;
dbo:pubchem "7519"^^xsd:int ;
dbo:smiles "COC1=CC=CC=C1" ;
dbp:inchikey "RDOXTESZEPMUJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ansl" ;
skos:prefLabel "anisool"@nl .
csc:QTBSBXVTEAMEQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:176 ;
dbo:casNumber "9035-69-2" , "77671-22-8" , "157090-22-7" , "68475-71-8" , "64-19-7" , "207004-55-5" ;
dbo:formula "C2H4O2" ;
dbo:inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" ;
dbo:iupacName "acetic acid"@en ;
dbo:pubchem "176"^^xsd:int ;
dbo:smiles "CC(=O)O" ;
dbp:inchikey "QTBSBXVTEAMEQO-UHFFFAOYSA-N" ;
skos:altLabel "azijnzuur"@nl ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HAc" ;
skos:prefLabel "azijnzuur "@nl .
csc:SFVFIFLLYFPGHH-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31204 ;
dbo:casNumber "37243-60-0" , "37612-69-4" , "122-19-0" , "60650-76-2" , "89004-38-6" ;
dbo:formula "C27H50ClN" ;
dbo:inchi "InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dimethyl-octadecylazanium chloride"@en ;
dbo:pubchem "31204"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "SFVFIFLLYFPGHH-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003977 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzDC1yC18y" ;
skos:prefLabel "benzyldimethyloctadecylammoniumchloride"@nl .
csc:CVQODEWAPZVVBU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17563 ;
dbo:casNumber "2655-14-3" ;
dbo:formula "C10H13NO2" ;
dbo:inchi "InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)" ;
dbo:iupacName "(3,5-dimethylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17563"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)OC(=O)NC)C" ;
dbp:inchikey "CVQODEWAPZVVBU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "XMC" ;
skos:prefLabel "3,5-xylylmethylcarbamaat"@nl .
csc:YXKMMRDKEKCERS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9862076 ;
dbo:casNumber "120116-88-3" ;
dbo:formula "C13H13ClN4O2S" ;
dbo:inchi "InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3" ;
dbo:iupacName "4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide"@en ;
dbo:pubchem "9862076"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl" ;
dbp:inchikey "YXKMMRDKEKCERS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002327 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyazfAd" ;
skos:prefLabel "cyazofamide"@nl .
csc:QKSKPIVNLNLAAV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10461 ;
dbo:casNumber "39472-40-7" , "68157-62-0" , "69020-37-7" , "505-60-2" ;
dbo:formula "C4H8Cl2S" ;
dbo:inchi "InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2" ;
dbo:iupacName "1-chloro-2-(2-chloroethylsulfanyl)ethane"@en ;
dbo:pubchem "10461"^^xsd:int ;
dbo:smiles "C(CCl)SCCCl" ;
dbp:inchikey "QKSKPIVNLNLAAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mostgs" ;
skos:prefLabel "mosterdgas"@nl .
csc:SWQJXJOGLNCZEY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23987 ;
dbo:casNumber "14762-55-1" , "71086-78-7" , "494798-31-1" , "7440-59-7" ;
dbo:formula "He" ;
dbo:inchi "InChI=1S/He" ;
dbo:iupacName "HELIUM"@en ;
dbo:pubchem "23987"^^xsd:int ;
dbo:smiles "[He]" ;
dbp:inchikey "SWQJXJOGLNCZEY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "He" ;
skos:prefLabel "helium"@nl .
csc:JFDZBHWFFUWGJE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7505 ;
dbo:casNumber "100-47-0" ;
dbo:formula "C7H5N" ;
dbo:inchi "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" ;
dbo:iupacName "Benzonitrile"@en ;
dbo:pubchem "7505"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C#N" ;
dbp:inchikey "JFDZBHWFFUWGJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001530 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzntl" ;
skos:prefLabel "benzonitril"@nl .
csc:WYZDCUGWXKHESN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:21583 ;
dbo:casNumber "102-05-6" ;
dbo:formula "C15H17N" ;
dbo:inchi "InChI=1S/C15H17N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3" ;
dbo:iupacName "N-methyl-1-phenyl-N-(phenylmethyl)methanamine"@en ;
dbo:pubchem "21583"^^xsd:int ;
dbo:smiles "CN(CC1=CC=CC=C1)CC2=CC=CC=C2" ;
dbp:inchikey "WYZDCUGWXKHESN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NbzNC1y1FyC1" ;
skos:prefLabel "N-benzyl-N-methyl-1-phenylmethanamine"@nl .
csc:GKOZUEZYRPOHIO-YPZZEJLDSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:167220 ;
dbo:casNumber "14981-91-0" ;
dbo:formula "Ir" ;
dbo:inchi "InChI=1S/Ir/i1-2" ;
dbo:iupacName "iridium-190"@en ;
dbo:pubchem "167220"^^xsd:int ;
dbo:smiles "[Ir]" ;
dbp:inchikey "GKOZUEZYRPOHIO-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ir190" ;
skos:prefLabel "iridium 190"@nl .
csc:ZGEGCLOFRBLKSE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'"@nl ;
rdfs:seeAlso compound:11610 ;
dbo:casNumber "592-76-7" , "68526-53-4" , "25339-56-4" ;
dbo:formula "C7H14" ;
dbo:inchi "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" ;
dbo:iupacName "hept-1-ene"@en ;
dbo:pubchem "11610"^^xsd:int ;
dbo:smiles "CCCCCC=C" ;
dbp:inchikey "ZGEGCLOFRBLKSE-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_005 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C7e" ;
skos:prefLabel "1-hepteen"@nl .
csc:ZDPHROOEEOARMN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8180 ;
dbo:casNumber "112-37-8" ;
dbo:formula "C11H22O2" ;
dbo:inchi "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)" ;
dbo:iupacName "Undecanoic acid"@en ;
dbo:pubchem "8180"^^xsd:int ;
dbo:smiles "CCCCCCCCCCC(=O)O" ;
dbp:inchikey "ZDPHROOEEOARMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C11azr" ;
skos:prefLabel "undecaanzuur"@nl .
csc:VVBLNCFGVYUYGU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7031 ;
dbo:casNumber "90-94-8" ;
dbo:formula "C17H20N2O" ;
dbo:inchi "InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3" ;
dbo:iupacName "bis(4-dimethylaminophenyl)methanone"@en ;
dbo:pubchem "7031"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C" ;
dbp:inchikey "VVBLNCFGVYUYGU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1aDAobzfn" ;
skos:prefLabel "tetramethyldiaminobenzofenon"@nl .
csc:RDYMFSUJUZBWLH-VQDHCCOSSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6434141 ;
dbo:casNumber "891-86-1" , "19670-15-6" , "33213-65-9" , "12640-59-4" ;
dbo:formula "C9H6Cl6O3S" ;
dbo:inchi "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m0/s1" ;
dbo:iupacName "(1S,2R,8S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide"@en ;
dbo:pubchem "6434141"^^xsd:int ;
dbo:smiles "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "RDYMFSUJUZBWLH-VQDHCCOSSA-N" ;
skos:broader csc:CHEMONTID_0002074 ;
skos:exactMatch wise:CAS_33213-65-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bedsfn" ;
skos:prefLabel "beta-endosulfan"@nl ;
vcs:vmmParameterId "237"^^xsd:int .
csc:SPJOZZSIXXJYBT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6636 ;
dbo:casNumber "80-38-6" ;
dbo:formula "C12H9ClO3S" ;
dbo:inchi "InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H" ;
dbo:iupacName "(4-chlorophenyl) benzenesulfonate"@en ;
dbo:pubchem "6636"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl" ;
dbp:inchikey "SPJOZZSIXXJYBT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004309 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fensn" ;
skos:prefLabel "fenson"@nl .
csc:RNVCVTLRINQCPJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7242 ;
dbo:casNumber "95-53-4" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" ;
dbo:iupacName "2-Methylaniline"@en ;
dbo:pubchem "7242"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1N" ;
dbp:inchikey "RNVCVTLRINQCPJ-UHFFFAOYSA-N" ;
skos:altLabel "o-tolu\uFFFDdine"@nl , "o-tolu\uFFFDdine "@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yAn" ;
skos:prefLabel "2-methylaniline"@nl .
csc:LVDKZNITIUWNER-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2450 ;
dbo:casNumber "52-51-7" , "133248-96-1" ;
dbo:formula "C3H6BrNO4" ;
dbo:inchi "InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2" ;
dbo:iupacName "2-Bromo-2-nitropropane-1,3-diol"@en ;
dbo:pubchem "2450"^^xsd:int ;
dbo:smiles "C(C(CO)([N+](=O)[O-])Br)O" ;
dbp:inchikey "LVDKZNITIUWNER-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004117 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bronpl" ;
skos:prefLabel "bronopol"@nl .
csc:GEPDYQSQVLXLEU-WAYWQWQTSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6433175 ;
dbo:casNumber "338-45-4" ;
dbo:formula "C7H13O6P" ;
dbo:inchi "InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5-" ;
dbo:iupacName "methyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate"@en ;
dbo:pubchem "6433175"^^xsd:int ;
dbo:smiles "CC(=CC(=O)OC)OP(=O)(OC)OC" ;
dbp:inchikey "GEPDYQSQVLXLEU-WAYWQWQTSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tmevfs" ;
skos:prefLabel "trans-mevinfos"@nl .
csc:SCKHCCSZFPSHGR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17522 ;
dbo:casNumber "54578-39-1" , "12692-90-9" , "2636-26-2" ;
dbo:formula "C9H10NO3PS" ;
dbo:inchi "InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3" ;
dbo:iupacName "4-dimethoxyphosphinothioyloxybenzonitrile"@en ;
dbo:pubchem "17522"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)C#N" ;
dbp:inchikey "SCKHCCSZFPSHGR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyanfs" ;
skos:prefLabel "cyanofos"@nl .
csc:ADIMAYPTOBDMTL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4616 ;
dbo:casNumber "61036-43-9" , "604-75-1" , "35295-88-6" ;
dbo:formula "C15H11ClN2O2" ;
dbo:inchi "InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)" ;
dbo:iupacName "7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "4616"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O" ;
dbp:inchikey "ADIMAYPTOBDMTL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxzpm" ;
skos:prefLabel "oxazepam"@nl .
csc:HKPHPIREJKHECO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31677 ;
dbo:casNumber "23184-66-9" ;
dbo:formula "C17H26ClNO2" ;
dbo:inchi "InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3" ;
dbo:iupacName "N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide"@en ;
dbo:pubchem "31677"^^xsd:int ;
dbo:smiles "CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl" ;
dbp:inchikey "HKPHPIREJKHECO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butCl" ;
skos:prefLabel "butachloor"@nl .
csc:KWOLJWUETSQNHB-CFLUDCDHSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5488501 ;
dbo:casNumber "564-25-0" , "69935-17-7" ;
dbo:formula "C22H29ClN2O10" ;
dbo:inchi "InChI=1S/C22H24N2O8.ClH.2H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;;;/h4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;1H;2*1H2/b21-13-;;;/t7-,10+,14+,15-,17-,22-;;;/m0.../s1" ;
dbo:iupacName "(2Z,4S,4aR,5S,5aR,6R,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione dihydrate hydrochloride"@en ;
dbo:pubchem "5488501"^^xsd:int ;
dbo:smiles "CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.O.O.Cl" ;
dbp:inchikey "KWOLJWUETSQNHB-CFLUDCDHSA-N" ;
skos:broader csc:CHEMONTID_0000181 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "doxccne" ;
skos:prefLabel "doxycycline"@nl .
csc:SXQBHARYMNFBPS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II (D2)"@nl ;
rdfs:seeAlso compound:9131 ;
dbo:casNumber "193-39-5" , "348085-46-1" ;
dbo:formula "C22H12" ;
dbo:inchi "InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H" ;
dbo:iupacName "hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene"@en ;
dbo:pubchem "9131"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=C4C2=CC5=CC=CC6=C5C4=C(C=C6)C=C3" ;
dbp:inchikey "SXQBHARYMNFBPS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "indeno(1,2,3-cd)pyreen"@nl , "indeno(1,2,3-cd)pyreen (b)"@nl ;
skos:broader csc:CHEMONTID_0001851 ;
skos:exactMatch wise:CAS_193-39-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "InP" ;
skos:prefLabel "indeno(1,2,3-c,d)pyreen"@nl ;
vcs:vmmParameterId "431"^^xsd:int , "1432"^^xsd:int .
csc:KEVMYFLMMDUPJE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14070 ;
dbo:casNumber "1072-16-8" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-9(2)7-5-6-8-10(3)4/h9-10H,5-8H2,1-4H3" ;
dbo:iupacName "2,7-Dimethyloctane"@en ;
dbo:pubchem "14070"^^xsd:int ;
dbo:smiles "CC(C)CCCCC(C)C" ;
dbp:inchikey "KEVMYFLMMDUPJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "27DC1yC8a" ;
skos:prefLabel "2,7-dimethyloctaan"@nl .
csc:SPBDXSGPUHCETR-MVGRHBATSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6474909 ;
dbo:casNumber "70288-86-7" ;
dbo:formula "C95H146O28" ;
dbo:inchi "InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1" ;
dbo:iupacName "(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-butan-2-yl-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one"@en ;
dbo:pubchem "6474909"^^xsd:int ;
dbo:smiles "CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)OC1C(C)C" ;
dbp:inchikey "SPBDXSGPUHCETR-MVGRHBATSA-N" ;
skos:broader csc:CHEMONTID_0002902 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ivmctne" ;
skos:prefLabel "ivermectine"@nl .
csc:VEMKTZHHVJILDY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5053 ;
dbo:casNumber "10453-86-8" , "28434-01-7" , "10453-54-0" , "24380-84-5" ;
dbo:formula "C22H26O3" ;
dbo:inchi "InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3" ;
dbo:iupacName "[5-(phenylmethyl)furan-3-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "5053"^^xsd:int ;
dbo:smiles "CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C" ;
dbp:inchikey "VEMKTZHHVJILDY-UHFFFAOYSA-N" ;
skos:altLabel "resmethrin"@nl ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "resmtn" , "biormtn" ;
skos:prefLabel "bioresmethrin"@nl .
csc:OELBLPCWLAWABI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:49996 ;
dbo:casNumber "67888-96-4" ;
dbo:formula "C12H5Br5" ;
dbo:inchi "InChI=1S/C12H5Br5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H" ;
dbo:iupacName "1,2,4-tribromo-5-(2,5-dibromophenyl)benzene"@en ;
dbo:pubchem "49996"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)C2=CC(=C(C=C2Br)Br)Br)Br" ;
dbp:inchikey "OELBLPCWLAWABI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB101" ;
skos:prefLabel "2,2',4,5,5'-pentabroombifenyl"@nl .
csc:TXCGAZHTZHNUAI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2797 ;
dbo:casNumber "882-09-7" ;
dbo:formula "C10H11ClO3" ;
dbo:inchi "InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)" ;
dbo:iupacName "2-(4-Chlorophenoxy)-2-methylpropanoic acid"@en ;
dbo:pubchem "2797"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl" ;
dbp:inchikey "TXCGAZHTZHNUAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clofbnzr" ;
skos:prefLabel "clofibrinezuur"@nl .
csc:FBQQHUGEACOBDN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17109 ;
dbo:casNumber "113535-72-1" , "2439-01-2" , "85188-88-1" ;
dbo:formula "C10H6N2OS2" ;
dbo:inchi "InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3" ;
dbo:iupacName "7-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one"@en ;
dbo:pubchem "17109"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3" ;
dbp:inchikey "FBQQHUGEACOBDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000486 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinmtont" ;
skos:prefLabel "quinomethionaat"@nl .
csc:IDYZIJYBMGIQMJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3229 ;
dbo:casNumber "74011-58-8" ;
dbo:formula "C15H17FN4O3" ;
dbo:inchi "InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)" ;
dbo:iupacName "1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid"@en ;
dbo:pubchem "3229"^^xsd:int ;
dbo:smiles "CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O" ;
dbp:inchikey "IDYZIJYBMGIQMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001858 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "enxcne" ;
skos:prefLabel "enoxacine"@nl .
csc:YRMLFORXOOIJDR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37829 ;
dbo:casNumber "37764-25-3" , "11140-95-7" ;
dbo:formula "C8H11Cl2NO" ;
dbo:inchi "InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2" ;
dbo:iupacName "2,2-dichloro-N,N-di(prop-2-enyl)acetamide"@en ;
dbo:pubchem "37829"^^xsd:int ;
dbo:smiles "C=CCN(CC=C)C(=O)C(Cl)Cl" ;
dbp:inchikey "YRMLFORXOOIJDR-UHFFFAOYSA-N" ;
skos:altLabel "n,n-diallyldichlooracetamide"@nl ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDalDClacAd" ;
skos:prefLabel "N,N-diallyldichlooracetamide"@nl .
csc:ZTWQZJLUUZHJGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31412 ;
dbo:casNumber "39280-74-5" , "115685-46-6" , "128-66-5" , "12772-52-0" ;
dbo:formula "C24H12O2" ;
dbo:inchi "InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H" ;
dbo:iupacName "hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-dione"@en ;
dbo:pubchem "31412"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O" ;
dbp:inchikey "ZTWQZJLUUZHJGS-UHFFFAOYSA-N" ;
skos:altLabel "c.i. vat yellow 4"@nl ;
skos:broader csc:CHEMONTID_0000316 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "civyw4" ;
skos:prefLabel "C.I. Vat Yellow 4"@nl .
csc:CTQNGGLPUBDAKN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'xylenen'"@nl ;
rdfs:seeAlso compound:7237 ;
dbo:casNumber "95-47-6" , "68411-84-7" ;
dbo:formula "C8H10" ;
dbo:inchi "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" ;
dbo:iupacName "1,2-Dimethylbenzene"@en ;
dbo:pubchem "7237"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1C" ;
dbp:inchikey "CTQNGGLPUBDAKN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_001 , co:LUC_IV_011 ;
skos:altLabel "1,2-xyleen"@nl , "o-xyleen"@nl ;
skos:broader csc:CHEMONTID_0004210 ;
skos:exactMatch wise:CAS_95-47-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12xyln" ;
skos:prefLabel "ortho-xyleen"@nl ;
vcs:vmmParameterId "219"^^xsd:int .
csc:XEEYBQQBJWHFJM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23925 ;
dbo:casNumber "8053-60-9" , "39344-71-3" , "129048-51-7" , "70884-35-4" , "14067-02-8" , "73135-38-3" , "7439-89-6" , "195161-83-2" , "199281-22-6" , "8011-79-8" ;
dbo:formula "Fe" ;
dbo:inchi "InChI=1S/Fe" ;
dbo:iupacName "Iron"@en ;
dbo:pubchem "23925"^^xsd:int ;
dbo:smiles "[Fe]" ;
dbp:inchikey "XEEYBQQBJWHFJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7439-89-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fe" ;
skos:prefLabel "ijzer"@nl ;
vcs:vmmParameterId "1935"^^xsd:int , "157"^^xsd:int , "158"^^xsd:int , "159"^^xsd:int .
csc:BTJIUGUIPKRLHP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:980 ;
dbo:casNumber "100-02-7" ;
dbo:formula "C6H5NO3" ;
dbo:inchi "InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H" ;
dbo:iupacName "4-Nitrophenol"@en ;
dbo:pubchem "980"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])O" ;
dbp:inchikey "BTJIUGUIPKRLHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000141 ;
skos:exactMatch wise:CAS_100-02-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2Fol" ;
skos:prefLabel "4-nitrofenol"@nl ;
vcs:vmmParameterId "211"^^xsd:int .
csc:WDZACGWEPQLKOM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15462 ;
dbo:casNumber "1667-04-5" ;
dbo:formula "C9H11Cl" ;
dbo:inchi "InChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3" ;
dbo:iupacName "2-CHLORO-1,3,5-TRIMETHYLBENZENE"@en ;
dbo:pubchem "15462"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)Cl)C" ;
dbp:inchikey "WDZACGWEPQLKOM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClTC1yBen" ;
skos:prefLabel "chloortrimethylbenzeen"@nl .
csc:PBKONEOXTCPAFI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13 ;
dbo:casNumber "120-82-1" , "63697-18-7" ;
dbo:formula "C6H3Cl3" ;
dbo:inchi "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H" ;
dbo:iupacName "1,2,4-trichlorobenzene"@en ;
dbo:pubchem "13"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "PBKONEOXTCPAFI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_120-82-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "124TClBen" ;
skos:prefLabel "1,2,4-trichloorbenzeen"@nl ;
vcs:vmmParameterId "317"^^xsd:int .
csc:DEDOPGXGGQYYMW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16653 ;
dbo:casNumber "2212-67-1" ;
dbo:formula "C9H17NOS" ;
dbo:inchi "InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3" ;
dbo:iupacName "S-Ethyl azepane-1-carbothioate"@en ;
dbo:pubchem "16653"^^xsd:int ;
dbo:smiles "CCSC(=O)N1CCCCCC1" ;
dbp:inchikey "DEDOPGXGGQYYMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000307 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "molnt" ;
skos:prefLabel "molinaat"@nl .
csc:OPKYDBFRKPQCBS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38014 ;
dbo:casNumber "38380-02-8" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-3-9(14)8(5-6)7-2-4-10(15)12(17)11(7)16/h1-5H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "38014"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "OPKYDBFRKPQCBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB87" ;
skos:prefLabel "2,2',3,4,5'-pentachloorbifenyl"@nl .
csc:PESKGJQREUXSRR-JDIFZLMISA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92132 ;
dbo:casNumber "601-53-6" ;
dbo:formula "C27H46O" ;
dbo:inchi "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "92132"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C" ;
dbp:inchikey "PESKGJQREUXSRR-JDIFZLMISA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5bcholet3on" ;
skos:prefLabel "5-beta-cholestan-3-one"@nl .
csc:VEENJGZXVHKXNB-VOTSOKGWSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5371560 ;
dbo:casNumber "3735-78-2" , "141-66-2" ;
dbo:formula "C8H16NO5P" ;
dbo:inchi "InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+" ;
dbo:iupacName "['(4-dimethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '[(E)-4-dimethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate']"@en ;
dbo:pubchem "5371560"^^xsd:int ;
dbo:smiles "CC(=CC(=O)N(C)C)OP(=O)(OC)OC" ;
dbp:inchikey "VEENJGZXVHKXNB-VOTSOKGWSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dctfs" ;
skos:prefLabel "dicrotofos"@nl .
csc:JVTAAEKCZFNVCJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:612 ;
dbo:casNumber "1715-99-7" , "50-21-5" , "598-82-3" , "152-36-3" , "10326-41-7" , "26100-51-6" , "31587-11-8" ;
dbo:formula "C3H6O3" ;
dbo:inchi "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)" ;
dbo:iupacName "2-hydroxypropanoic acid"@en ;
dbo:pubchem "612"^^xsd:int ;
dbo:smiles "CC(C(=O)O)O" ;
dbp:inchikey "JVTAAEKCZFNVCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001359 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "melkzr" ;
skos:prefLabel "melkzuur"@nl .
csc:RROQIUMZODEXOR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33565 ;
dbo:casNumber "26644-46-2" , "36660-66-9" , "37273-84-0" ;
dbo:formula "C10H14Cl6N4O2" ;
dbo:inchi "InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)" ;
dbo:iupacName "N-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide"@en ;
dbo:pubchem "33565"^^xsd:int ;
dbo:smiles "C1CN(CCN1C(C(Cl)(Cl)Cl)NC=O)C(C(Cl)(Cl)Cl)NC=O" ;
dbp:inchikey "RROQIUMZODEXOR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfrne" ;
skos:prefLabel "triforine"@nl .
csc:SDMSCIWHRZJSRN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:29307 ;
dbo:casNumber "18854-01-8" ;
dbo:formula "C13H16NO4PS" ;
dbo:inchi "InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidenephosphorane"@en ;
dbo:pubchem "29307"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NOC(=C1)C2=CC=CC=C2" ;
dbp:inchikey "SDMSCIWHRZJSRN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004623 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ixtton" ;
skos:prefLabel "isoxathion"@nl .
csc:OTMSDBZUPAUEDD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6324 ;
dbo:casNumber "74-84-0" ;
dbo:formula "C2H6" ;
dbo:inchi "InChI=1S/C2H6/c1-2/h1-2H3" ;
dbo:iupacName "ETHANE"@en ;
dbo:pubchem "6324"^^xsd:int ;
dbo:smiles "CC" ;
dbp:inchikey "OTMSDBZUPAUEDD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2a" ;
skos:prefLabel "ethaan"@nl .
csc:GVGYEFKIHJTNQZ-CLRIEMFWSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:442997 ;
dbo:casNumber "519-09-5" ;
dbo:formula "C16H19NO4" ;
dbo:inchi "InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1" ;
dbo:iupacName "(2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid"@en ;
dbo:pubchem "442997"^^xsd:int ;
dbo:smiles "CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O" ;
dbp:inchikey "GVGYEFKIHJTNQZ-CLRIEMFWSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzyegnne" ;
skos:prefLabel "benzoylecgonine"@nl .
csc:FBGJJTQNZVNEQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:69675 ;
dbo:casNumber "696-44-6" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3" ;
dbo:iupacName "N,3-Dimethylaniline"@en ;
dbo:pubchem "69675"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)NC" ;
dbp:inchikey "FBGJJTQNZVNEQU-UHFFFAOYSA-N" ;
skos:altLabel "n,3-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N3DC1yAn" ;
skos:prefLabel "N,3-dimethylaniline"@nl .
csc:RRKTZKIUPZVBMF-PLNGPGDESA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9649 ;
dbo:casNumber "357-57-3" , "70206-61-0" , "54193-32-7" , "193198-03-7" , "101324-32-7" ;
dbo:formula "C23H26N2O4" ;
dbo:inchi "InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18?,19-,21-,22?,23+/m0/s1" ;
dbo:iupacName "(4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one"@en ;
dbo:pubchem "9649"^^xsd:int ;
dbo:smiles "COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC" ;
dbp:inchikey "RRKTZKIUPZVBMF-PLNGPGDESA-N" ;
skos:broader csc:CHEMONTID_0002749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "brucne" ;
skos:prefLabel "brucine"@nl .
csc:JOFDPSBOUCXJCC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92363 ;
dbo:casNumber "60397-77-5" ;
dbo:formula "C9H11NO" ;
dbo:inchi "InChI=1S/C9H11NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-6H,1-2H3,(H,10,11)" ;
dbo:iupacName "N-(2,4-dimethylphenyl)formamide"@en ;
dbo:pubchem "92363"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)NC=O)C" ;
dbp:inchikey "JOFDPSBOUCXJCC-UHFFFAOYSA-N" ;
skos:altLabel "N-(2,4-dimethylfenyl)formamide"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N24DC1yFyfAd" ;
skos:prefLabel "n-(2,4-dimethylfenyl)formamide"@nl .
csc:LSKGFBJLYWXIOF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37499 ;
dbo:casNumber "36643-28-4" ;
dbo:formula "C12H27Sn+" ;
dbo:inchi "InChI=1S/3C4H9.Sn/c3*1-3-4-2;/h3*1,3-4H2,2H3;/q;;;+1" ;
dbo:iupacName "tributylstannanylium"@en ;
dbo:pubchem "37499"^^xsd:int ;
dbo:smiles "CCCC[Sn+](CCCC)CCCC" ;
dbp:inchikey "LSKGFBJLYWXIOF-UHFFFAOYSA-N" ;
skos:altLabel "tributyltin (kation)"@nl ;
skos:broader csc:CHEMONTID_0004072 ;
skos:exactMatch wise:CAS_36643-28-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4ySn" ;
skos:prefLabel "tributyltin"@nl ;
vcs:vmmParameterId "670"^^xsd:int .
csc:SPURMHFLEKVAAS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:74138 ;
dbo:casNumber "29730-67-4" , "93924-10-8" , "1599-67-3" ;
dbo:formula "C22H44" ;
dbo:inchi "InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3" ;
dbo:iupacName "docos-1-ene"@en ;
dbo:pubchem "74138"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCC=C" ;
dbp:inchikey "SPURMHFLEKVAAS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C22e" ;
skos:prefLabel "1-docoseen"@nl .
csc:VREFGVBLTWBCJP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2118 ;
dbo:casNumber "28981-97-7" ;
dbo:formula "C17H13ClN4" ;
dbo:inchi "InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3" ;
dbo:iupacName "8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine"@en ;
dbo:pubchem "2118"^^xsd:int ;
dbo:smiles "CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4" ;
dbp:inchikey "VREFGVBLTWBCJP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004226 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alpzlm" ;
skos:prefLabel "alprazolam"@nl .
csc:BLXVTZPGEOGTGG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24773 ;
dbo:casNumber "9016-45-9" , "20427-84-3" ;
dbo:formula "C19H32O3" ;
dbo:inchi "InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3" ;
dbo:iupacName "2-[2-(4-Nonylphenoxy)ethoxy]ethanol"@en ;
dbo:pubchem "24773"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=C(C=C1)OCCOCCO" ;
dbp:inchikey "BLXVTZPGEOGTGG-UHFFFAOYSA-N" ;
skos:altLabel "nonylfenolmonoethoxylaat"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO1" , "224C9yfOxC2o" ;
skos:prefLabel "2-(2-(4-nonylfenoxy)ethoxy)ethanol"@nl .
csc:SSIMHHUMYMHNID-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:35684 ;
dbo:casNumber "35421-08-0" ;
dbo:formula "C7H7ClO" ;
dbo:inchi "InChI=1S/C7H7ClO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5H2" ;
dbo:iupacName "4-(chloromethyl)phenol"@en ;
dbo:pubchem "35684"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CCl)O" ;
dbp:inchikey "SSIMHHUMYMHNID-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003980 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pClmcsl" ;
skos:prefLabel "p-chloor-m-cresol"@nl .
csc:IZLVFLOBTPURLP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:76738 ;
dbo:casNumber "3251-56-7" ;
dbo:formula "C7H7NO4" ;
dbo:inchi "InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3" ;
dbo:iupacName "2-Methoxy-4-nitrophenol"@en ;
dbo:pubchem "76738"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)[N+](=O)[O-])O" ;
dbp:inchikey "IZLVFLOBTPURLP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ox4NO2Fol" ;
skos:prefLabel "2-methoxy-4-nitrofenol"@nl .
csc:BQOFWKZOCNGFEC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26049 ;
dbo:casNumber "13466-78-9" , "74806-04-5" , "116783-27-8" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" ;
dbo:iupacName "3,7,7-trimethylbicyclo[4.1.0]hept-3-ene"@en ;
dbo:pubchem "26049"^^xsd:int ;
dbo:smiles "CC1=CCC2C(C1)C2(C)C" ;
dbp:inchikey "BQOFWKZOCNGFEC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3carn" ;
skos:prefLabel "3-careen"@nl .
csc:XEVRDFDBXJMZFG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:73948 ;
dbo:casNumber "497-18-7" ;
dbo:formula "CH6N4O" ;
dbo:inchi "InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)" ;
dbo:iupacName "1,3-Diaminourea"@en ;
dbo:pubchem "73948"^^xsd:int ;
dbo:smiles "C(=O)(NN)NN" ;
dbp:inchikey "XEVRDFDBXJMZFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002464 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbhdzde" ;
skos:prefLabel "carbohydrazide"@nl .
csc:VFWCMGCRMGJXDK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8005 ;
dbo:casNumber "109-69-3" ;
dbo:formula "C4H9Cl" ;
dbo:inchi "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" ;
dbo:iupacName "1-Chlorobutane"@en ;
dbo:pubchem "8005"^^xsd:int ;
dbo:smiles "CCCCCl" ;
dbp:inchikey "VFWCMGCRMGJXDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClC4a" ;
skos:prefLabel "1-chloorbutaan"@nl .
csc:UFFBMTHBGFGIHF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6896 ;
dbo:casNumber "87-62-7" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2,6-Dimethylaniline"@en ;
dbo:pubchem "6896"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N" ;
dbp:inchikey "UFFBMTHBGFGIHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26xyldne" ;
skos:prefLabel "2,6-xylidine"@nl .
csc:OISVCGZHLKNMSJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7937 ;
dbo:casNumber "108-48-5" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" ;
dbo:iupacName "2,6-Dimethylpyridine"@en ;
dbo:pubchem "7937"^^xsd:int ;
dbo:smiles "CC1=NC(=CC=C1)C" ;
dbp:inchikey "OISVCGZHLKNMSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1yprdne" ;
skos:prefLabel "2,6-dimethylpyridine"@nl .
csc:RQNWIZPPADIBDY-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335515 ;
dbo:casNumber "14304-78-0" ;
dbo:formula "As" ;
dbo:inchi "InChI=1S/As/i1-1" ;
dbo:iupacName "arsenic-74"@en ;
dbo:pubchem "6335515"^^xsd:int ;
dbo:smiles "[As]" ;
dbp:inchikey "RQNWIZPPADIBDY-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "As74" ;
skos:prefLabel "arseen 74"@nl .
csc:DBMJMQXJHONAFJ-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9028 ;
dbo:casNumber "12738-53-3" , "1334-67-4" , "74433-77-5" , "12765-21-8" , "111726-87-5" , "58640-35-0" , "121481-64-9" , "61711-39-5" , "51222-39-0" , "1335-72-4" , "129203-37-8" , "8012-56-4" , "151-21-3" , "64441-33-4" , "152155-52-7" , "57176-54-2" ;
dbo:formula "C12H25NaO4S" ;
dbo:inchi "InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1" ;
dbo:iupacName "Sodium dodecyl sulfate"@en ;
dbo:pubchem "9028"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "DBMJMQXJHONAFJ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaLySO4" ;
skos:prefLabel "natriumlaurylsulfaat"@nl .
csc:OWTFKEBRIAXSMO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:544 ;
dbo:casNumber "15502-74-6" , "11118-55-1" ;
dbo:formula "AsO3-3" ;
dbo:inchi "InChI=1S/AsO3/c2-1(3)4/q-3" ;
dbo:iupacName "arsorite"@en ;
dbo:pubchem "544"^^xsd:int ;
dbo:smiles "[O-][As]([O-])[O-]" ;
dbp:inchikey "OWTFKEBRIAXSMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001475 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AsO2" ;
skos:prefLabel "arseniet"@nl .
csc:KGBXLFKZBHKPEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7628 ;
dbo:casNumber "11113-50-1" , "11129-12-7" , "13813-79-1" , "10043-35-3" , "13460-50-9" , "12795-04-9" ;
dbo:formula "BH3O3" ;
dbo:inchi "InChI=1S/BH3O3/c2-1(3)4/h2-4H" ;
dbo:iupacName "Boric acid"@en ;
dbo:pubchem "7628"^^xsd:int ;
dbo:smiles "B(O)(O)O" ;
dbp:inchikey "KGBXLFKZBHKPEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "boorzr" ;
skos:prefLabel "boorzuur"@nl .
csc:AKLOLDQYWQAREW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11348 ;
dbo:casNumber "577-71-9" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H" ;
dbo:iupacName "3,4-DINITROPHENOL"@en ;
dbo:pubchem "11348"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "AKLOLDQYWQAREW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DNO2Fol" ;
skos:prefLabel "3,4-dinitrofenol"@nl .
csc:UWFYSQMTEOIJJG-FDTZYFLXSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9880 ;
dbo:casNumber "427-51-0" ;
dbo:formula "C24H29ClO4" ;
dbo:inchi "InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1" ;
dbo:iupacName "[(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate"@en ;
dbo:pubchem "9880"^^xsd:int ;
dbo:smiles "CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C" ;
dbp:inchikey "UWFYSQMTEOIJJG-FDTZYFLXSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyptractt" ;
skos:prefLabel "cyproteronacetaat"@nl .
csc:TXVHTIQJNYSSKO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9128 ;
dbo:casNumber "73467-76-2" , "192-97-2" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H" ;
dbo:iupacName "benzo[e]pyrene"@en ;
dbo:pubchem "9128"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4" ;
dbp:inchikey "TXVHTIQJNYSSKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000316 ;
skos:exactMatch wise:CAS_192-97-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BeP" ;
skos:prefLabel "benzo(e)pyreen"@nl ;
vcs:vmmParameterId "796"^^xsd:int .
csc:JJWKPURADFRFRB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10039 ;
dbo:casNumber "463-58-1" , "20684-88-2" ;
dbo:formula "COS" ;
dbo:inchi "InChI=1S/COS/c2-1-3" ;
dbo:iupacName "sulfanylidenemethanone"@en ;
dbo:pubchem "10039"^^xsd:int ;
dbo:smiles "C(=O)=S" ;
dbp:inchikey "JJWKPURADFRFRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000004 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbnS" ;
skos:prefLabel "carbonylsulfide"@nl .
csc:QCWXDVFBZVHKLV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7390 ;
dbo:casNumber "98-51-1" ;
dbo:formula "C11H16" ;
dbo:inchi "InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3" ;
dbo:iupacName "1-tert-Butyl-4-methylbenzene"@en ;
dbo:pubchem "7390"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)C(C)(C)C" ;
dbp:inchikey "QCWXDVFBZVHKLV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pttC4yTol" ;
skos:prefLabel "p-tertiair-butyltolueen"@nl .
csc:ATBAMAFKBVZNFJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5460467 ;
dbo:casNumber "7440-41-7" ;
dbo:formula "Be" ;
dbo:inchi "InChI=1S/Be" ;
dbo:iupacName "BERYLLIUM"@en ;
dbo:pubchem "5460467"^^xsd:int ;
dbo:smiles "[Be]" ;
dbp:inchikey "ATBAMAFKBVZNFJ-UHFFFAOYSA-N" ;
skos:altLabel "berylium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000428 ;
skos:exactMatch wise:CAS_7440-41-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Be" ;
skos:prefLabel "beryllium"@nl ;
vcs:vmmParameterId "1923"^^xsd:int , "141"^^xsd:int , "143"^^xsd:int , "142"^^xsd:int .
csc:YUKQRDCYNOVPGJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6117 ;
dbo:casNumber "1482-80-0" , "62-55-5" ;
dbo:formula "C2H5NS" ;
dbo:inchi "InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)" ;
dbo:iupacName "Ethanethioamide"@en ;
dbo:pubchem "6117"^^xsd:int ;
dbo:smiles "CC(=N)S" ;
dbp:inchikey "YUKQRDCYNOVPGJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000510 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "toacAd" ;
skos:prefLabel "thioacetamide"@nl .
csc:CUJJSLYROAWARJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16775 ;
dbo:casNumber "2275-23-2" ;
dbo:formula "C8H18NO4PS2" ;
dbo:inchi "InChI=1S/C8H18NO4PS2/c1-9-8(10)4-5-15-6-7-16-14(11,12-2)13-3/h4-7H2,1-3H3,(H,9,10)" ;
dbo:iupacName "3-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide"@en ;
dbo:pubchem "16775"^^xsd:int ;
dbo:smiles "CNC(=O)CCSCCSP(=O)(OC)OC" ;
dbp:inchikey "CUJJSLYROAWARJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001663 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vamdton" ;
skos:prefLabel "vamidothion"@nl .
csc:RONFGUROBZGJKP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3526 ;
dbo:casNumber "79956-56-2" , "13516-27-3" , "108173-90-6" ;
dbo:formula "C18H41N7" ;
dbo:inchi "InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)" ;
dbo:iupacName "2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine"@en ;
dbo:pubchem "3526"^^xsd:int ;
dbo:smiles "C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N" ;
dbp:inchikey "RONFGUROBZGJKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000375 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "guaztne" ;
skos:prefLabel "guazatine"@nl .
csc:FJBFPHVGVWTDIP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3024 ;
dbo:casNumber "74-95-3" , "4371-77-1" ;
dbo:formula "CH2Br2" ;
dbo:inchi "InChI=1S/CH2Br2/c2-1-3/h1H2" ;
dbo:iupacName "Dibromomethane"@en ;
dbo:pubchem "3024"^^xsd:int ;
dbo:smiles "C(Br)Br" ;
dbp:inchikey "FJBFPHVGVWTDIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_74-95-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBrC1a" ;
skos:prefLabel "dibroommethaan"@nl ;
vcs:vmmParameterId "545"^^xsd:int .
csc:STMIIPIFODONDC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66461 ;
dbo:casNumber "79983-71-4" ;
dbo:formula "C14H17Cl2N3O" ;
dbo:inchi "InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3" ;
dbo:iupacName "2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol"@en ;
dbo:pubchem "66461"^^xsd:int ;
dbo:smiles "CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O" ;
dbp:inchikey "STMIIPIFODONDC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hxcnzl" ;
skos:prefLabel "hexaconazool"@nl .
csc:VOXZDWNPVJITMN-ZZEXBNFBSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10596 ;
dbo:casNumber "517-04-4" ;
dbo:formula "C18H24O2" ;
dbo:inchi "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14?,15-,16?,17-,18?/m0/s1" ;
dbo:iupacName "(8S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"@en ;
dbo:pubchem "10596"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "VOXZDWNPVJITMN-ZZEXBNFBSA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "8aestDol" ;
skos:prefLabel "8alpha-estradiol"@nl .
csc:MIVUDWFNUOXEJM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10738 ;
dbo:casNumber "530-50-7" , "530-47-2" ;
dbo:formula "C12H13ClN2" ;
dbo:inchi "InChI=1S/C12H12N2.ClH/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,13H2;1H" ;
dbo:iupacName "1,1-Diphenylhydrazine hydrochloride"@en ;
dbo:pubchem "10738"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N(C2=CC=CC=C2)N.Cl" ;
dbp:inchikey "MIVUDWFNUOXEJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000113 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DFydzne" ;
skos:prefLabel "1,1-difenylhydrazine"@nl .
csc:DJBNUMBKLMJRSA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3356 ;
dbo:casNumber "54143-55-4" , "99495-87-1" ;
dbo:formula "C17H20F6N2O3" ;
dbo:inchi "InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)" ;
dbo:iupacName "N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide"@en ;
dbo:pubchem "3356"^^xsd:int ;
dbo:smiles "C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F" ;
dbp:inchikey "DJBNUMBKLMJRSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000178 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flecinde" ;
skos:prefLabel "flecainide"@nl .
csc:XBDQKXXYIPTUBI-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104745 ;
dbo:casNumber "72-03-7" ;
dbo:formula "C3H5O2-" ;
dbo:inchi "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1" ;
dbo:iupacName "propanoate"@en ;
dbo:pubchem "104745"^^xsd:int ;
dbo:smiles "CCC(=O)[O-]" ;
dbp:inchikey "XBDQKXXYIPTUBI-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propont" ;
skos:prefLabel "propionaat"@nl .
csc:CFCRODHVHXGTPC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3018866 ;
dbo:casNumber "79780-39-5" ;
dbo:formula "C12HF25O3S" ;
dbo:inchi "InChI=1S/C12HF25O3S/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)41(38,39)40/h(H,38,39,40)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonic acid"@en ;
dbo:pubchem "3018866"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "CFCRODHVHXGTPC-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-dodecaansulfonzuur (pfdods)"@nl , "perfluordodecaansulfonzuur (pfdods)"@nl , "perfluor-n-dodecaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFDoDS" , "PFDoAS" ;
skos:prefLabel "perfluordodecaansulfonzuur"@nl .
csc:HGLDOAKPQXAFKI-YPZZEJLDSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:105176 ;
dbo:casNumber "15237-97-5" ;
dbo:formula "Cf" ;
dbo:inchi "InChI=1S/Cf/i1-2" ;
dbo:iupacName "californium-249"@en ;
dbo:pubchem "105176"^^xsd:int ;
dbo:smiles "[Cf]" ;
dbp:inchikey "HGLDOAKPQXAFKI-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cf249" ;
skos:prefLabel "californium 249"@nl .
csc:WCYYQNSQJHPVMG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:38251 ;
dbo:casNumber "39227-28-6" ;
dbo:formula "C12H2Cl6O2" ;
dbo:inchi "InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H" ;
dbo:iupacName "1,2,3,4,7,8-hexachlorooxanthrene"@en ;
dbo:pubchem "38251"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "WCYYQNSQJHPVMG-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,4,7,8-hexachloordibenzo-p-dioxine"@nl , "1,2,3,4,7,8-hexachloordibenzo-para-dioxine"@nl , " 1,2,3,4,7,8-hexachloordibenzodioxine"@nl , "1,2,3,4,7,8-hexachloordibenzodioxine (hxcdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_39227-28-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD66" ;
skos:prefLabel "1,2,3,4,7,8-hexachloordibenzodioxine"@nl ;
vcs:vmmParameterId "1248"^^xsd:int .
csc:ZOKXUAHZSKEQSS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5125 ;
dbo:casNumber "78-48-8" ;
dbo:formula "C12H27OPS3" ;
dbo:inchi "InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3" ;
dbo:iupacName "1-bis(butylsulfanyl)phosphorylsulfanylbutane"@en ;
dbo:pubchem "5125"^^xsd:int ;
dbo:smiles "CCCCSP(=O)(SCCCC)SCCCC" ;
dbp:inchikey "ZOKXUAHZSKEQSS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4yTtoPO4" ;
skos:prefLabel "tributyltrithiofosfaat"@nl .
csc:BFIMMTCNYPIMRN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10695 ;
dbo:casNumber "527-53-7" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3" ;
dbo:iupacName "1,2,3,5-Tetramethylbenzene"@en ;
dbo:pubchem "10695"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)C)C" ;
dbp:inchikey "BFIMMTCNYPIMRN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1235T4C1yBen" ;
skos:prefLabel "1,2,3,5-tetramethylbenzeen"@nl .
csc:ZGLBGXHBFHCOAF-NBVRZTHBSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5372015 ;
dbo:casNumber "12227-01-9" , "12238-70-9" , "66057-65-6" , "2832-40-8" ;
dbo:formula "C15H15N3O2" ;
dbo:inchi "InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,17H,1-2H3,(H,16,19)/b18-14+" ;
dbo:iupacName "['N-[4-[(2E)-2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide', 'N-[4-[2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide']"@en ;
dbo:pubchem "5372015"^^xsd:int ;
dbo:smiles "CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1" ;
dbp:inchikey "ZGLBGXHBFHCOAF-NBVRZTHBSA-N" ;
skos:altLabel "c.i. disperse yellow 3"@nl ;
skos:broader csc:CHEMONTID_0001846 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cidyw3" ;
skos:prefLabel "C.I. Disperse Yellow 3"@nl .
csc:ZNNLBTZKUZBEKO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3488 ;
dbo:casNumber "10238-21-8" ;
dbo:formula "C23H28ClN3O5S" ;
dbo:inchi "InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)" ;
dbo:iupacName "5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide"@en ;
dbo:pubchem "3488"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3" ;
dbp:inchikey "ZNNLBTZKUZBEKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glibcmde" ;
skos:prefLabel "glibenclamide"@nl .
csc:UDIPTWFVPPPURJ-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8751 ;
dbo:casNumber "139-05-9" , "53170-91-5" , "61373-78-2" ;
dbo:formula "C6H12NNaO3S" ;
dbo:inchi "InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1" ;
dbo:iupacName "Sodium N-cyclohexylsulfamate"@en ;
dbo:pubchem "8751"^^xsd:int ;
dbo:smiles "C1CCC(CC1)NS(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "UDIPTWFVPPPURJ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000365 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naccmt" ;
skos:prefLabel "natriumcyclamaat"@nl .
csc:NUVBSKCKDOMJSU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8434 ;
dbo:casNumber "120-47-8" ;
dbo:formula "C9H10O3" ;
dbo:inchi "InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3" ;
dbo:iupacName "Ethyl 4-hydroxybenzoate"@en ;
dbo:pubchem "8434"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CC=C(C=C1)O" ;
dbp:inchikey "NUVBSKCKDOMJSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2y4HOxbzat" ;
skos:prefLabel "ethyl-4-hydroxybenzoaat"@nl .
csc:QFUSCYRJMXLNRB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:69070 ;
dbo:casNumber "606-22-4" ;
dbo:formula "C6H5N3O4" ;
dbo:inchi "InChI=1S/C6H5N3O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,7H2" ;
dbo:iupacName "2,6-Dinitroaniline"@en ;
dbo:pubchem "69070"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-]" ;
dbp:inchikey "QFUSCYRJMXLNRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DNO2An" ;
skos:prefLabel "2,6-dinitroaniline"@nl .
csc:ZRWWEEVEIOGMMT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2555 ;
dbo:casNumber "36507-30-9" ;
dbo:formula "C15H12N2O2" ;
dbo:inchi "InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)" ;
dbo:iupacName "3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide"@en ;
dbo:pubchem "2555"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N" ;
dbp:inchikey "ZRWWEEVEIOGMMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbmzpn1011" ;
skos:prefLabel "carbamazepine 10,11-epoxide"@nl .
csc:JDEJGVSZUIJWBM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11869 ;
dbo:casNumber "29256-93-7" , "609-72-3" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3" ;
dbo:iupacName "N,N,2-Trimethylaniline"@en ;
dbo:pubchem "11869"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1N(C)C" ;
dbp:inchikey "JDEJGVSZUIJWBM-UHFFFAOYSA-N" ;
skos:altLabel "n,n,2-trimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NN2TC1yAn" ;
skos:prefLabel "N,N,2-trimethylaniline"@nl .
csc:ISERORSDFSDMDV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91627 ;
dbo:casNumber "38725-95-0" ;
dbo:formula "C14H18ClNO3" ;
dbo:inchi "InChI=1S/C14H18ClNO3/c1-3-10-6-5-7-11(4-2)14(10)16(9-13(18)19)12(17)8-15/h5-7H,3-4,8-9H2,1-2H3,(H,18,19)" ;
dbo:iupacName "2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetic acid"@en ;
dbo:pubchem "91627"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N(CC(=O)O)C(=O)CCl" ;
dbp:inchikey "ISERORSDFSDMDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002402 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dettl" ;
skos:prefLabel "diethatyl"@nl .
csc:VEORPZCZECFIRK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6618 ;
dbo:casNumber "7300-23-4" , "26446-62-8" , "25639-54-7" , "107719-55-1" , "110670-65-0" , "124779-54-0" , "108608-60-2" , "76341-26-9" , "51253-31-7" , "131891-38-8" , "79-94-7" , "30496-13-0" ;
dbo:formula "C15H12Br4O2" ;
dbo:inchi "InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3" ;
dbo:iupacName "2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol"@en ;
dbo:pubchem "6618"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br" ;
dbp:inchikey "VEORPZCZECFIRK-UHFFFAOYSA-N" ;
skos:altLabel "tetrabroombisfenol-a"@nl , "tetrabroombisfenol A"@nl ;
skos:broader csc:CHEMONTID_0000143 ;
skos:exactMatch wise:CAS_79-94-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4BrbFolA" ;
skos:prefLabel "tetrabroombisfenol a"@nl ;
vcs:vmmParameterId "940"^^xsd:int .
csc:SPSSULHKWOKEEL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8376 ;
dbo:casNumber "118-96-7" ;
dbo:formula "C7H5N3O6" ;
dbo:inchi "InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3" ;
dbo:iupacName "2-Methyl-1,3,5-trinitrobenzene"@en ;
dbo:pubchem "8376"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "SPSSULHKWOKEEL-UHFFFAOYSA-N" ;
skos:altLabel "2,4,6-trinitrotolueen (TNT)"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TNT" ;
skos:prefLabel "2,4,6-trinitrotolueen (tnt)"@nl .
csc:IMEYSCIEAFLSQJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91669 ;
dbo:casNumber "60044-25-9" , "59080-37-4" ;
dbo:formula "C12H6Br4" ;
dbo:inchi "InChI=1S/C12H6Br4/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6H" ;
dbo:iupacName "1,4-dibromo-2-(2,6-dibromophenyl)benzene"@en ;
dbo:pubchem "91669"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Br)C2=C(C=CC(=C2)Br)Br)Br" ;
dbp:inchikey "IMEYSCIEAFLSQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB52" ;
skos:prefLabel "2,2',4,4'-tetrabroombifenyl"@nl .
csc:OUNSASXJZHBGAI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19657 ;
dbo:casNumber "3811-49-2" , "90293-16-6" , "90293-10-0" ;
dbo:formula "C8H9O3PS" ;
dbo:inchi "InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3" ;
dbo:iupacName "8-methoxy-8-sulfanylidene-7,9-dioxa-8$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5-triene"@en ;
dbo:pubchem "19657"^^xsd:int ;
dbo:smiles "COP1(=S)OCC2=CC=CC=C2O1" ;
dbp:inchikey "OUNSASXJZHBGAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004623 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DOxbzfs" ;
skos:prefLabel "dioxabenzofos"@nl .
csc:QAOWNCQODCNURD-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1117 ;
dbo:casNumber "14808-79-8" , "18785-72-3" ;
dbo:formula "O4S-2" ;
dbo:inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2" ;
dbo:iupacName "SULFATE"@en ;
dbo:pubchem "1117"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-]" ;
dbp:inchikey "QAOWNCQODCNURD-UHFFFAOYSA-L" ;
dct:isReferencedBy co:WAC_V_B_003 ;
skos:broader csc:CHEMONTID_0001077 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SO4" ;
skos:prefLabel "sulfaat"@nl .
csc:ODINCKMPIJJUCX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14778 ;
dbo:casNumber "245321-52-2" , "104624-96-6" , "1305-78-8" , "60873-85-0" , "12610-14-9" ;
dbo:formula "CaO" ;
dbo:inchi "InChI=1S/Ca.O" ;
dbo:iupacName "oxocalcium"@en ;
dbo:pubchem "14778"^^xsd:int ;
dbo:smiles "O=[Ca]" ;
dbp:inchikey "ODINCKMPIJJUCX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000546 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaO" ;
skos:prefLabel "calciumoxide"@nl .
csc:PHNLCHMJDSSPDQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19099 ;
dbo:casNumber "3564-73-6" ;
dbo:formula "C15H14N2O" ;
dbo:inchi "InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18)" ;
dbo:iupacName "5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "19099"^^xsd:int ;
dbo:smiles "C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N" ;
dbp:inchikey "PHNLCHMJDSSPDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1011DHcbmzpn" ;
skos:prefLabel "10,11-dihydroxycarbamazepine"@nl .
csc:DSNHSQKRULAAEI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7734 ;
dbo:casNumber "105-05-5" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "1,4-DIETHYLBENZENE"@en ;
dbo:pubchem "7734"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)CC" ;
dbp:inchikey "DSNHSQKRULAAEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC2yBen" ;
skos:prefLabel "1,4-diethylbenzeen"@nl .
csc:SFBMPHLOQAKIBY-HXHCRBPZSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:140131 ;
dbo:casNumber "16732-84-6" ;
dbo:formula "C27H46" ;
dbo:inchi "InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11,19-25H,7-10,12-18H2,1-5H3/t20-,21?,22?,23?,24+,25+,26?,27?/m1/s1" ;
dbo:iupacName "(9S,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene"@en ;
dbo:pubchem "140131"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC=C4)C)C" ;
dbp:inchikey "SFBMPHLOQAKIBY-HXHCRBPZSA-N" ;
skos:broader csc:CHEMONTID_0003566 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chol3en" ;
skos:prefLabel "cholest-3-een"@nl .
csc:YRIZYWQGELRKNT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6909 ;
dbo:casNumber "87-90-1" ;
dbo:formula "C3Cl3N3O3" ;
dbo:inchi "InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11" ;
dbo:iupacName "1,3,5-Trichloro-1,3,5-triazinane-2,4,6-trione"@en ;
dbo:pubchem "6909"^^xsd:int ;
dbo:smiles "C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl" ;
dbp:inchikey "YRIZYWQGELRKNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001920 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TCliCNzr" ;
skos:prefLabel "trichloorisocyanuurzuur"@nl .
csc:DNXHEGUUPJUMQT-CBZIJGRNSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5870 ;
dbo:casNumber "37242-41-4" , "53-16-7" ;
dbo:formula "C18H22O2" ;
dbo:inchi "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one"@en ;
dbo:pubchem "5870"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "DNXHEGUUPJUMQT-CBZIJGRNSA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:exactMatch wise:CAS_53-16-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oestn" ;
skos:prefLabel "oestron"@nl ;
vcs:vmmParameterId "969"^^xsd:int .
csc:PASDCCFISLVPSO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7412 ;
dbo:casNumber "98-88-4" ;
dbo:formula "C7H5ClO" ;
dbo:inchi "InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "BENZOYL CHLORIDE"@en ;
dbo:pubchem "7412"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)Cl" ;
dbp:inchikey "PASDCCFISLVPSO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000176 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzyCl" ;
skos:prefLabel "benzoylchloride"@nl .
csc:LFVLUOAHQIVABZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:28935 ;
dbo:casNumber "18181-70-9" ;
dbo:formula "C8H8Cl2IO3PS" ;
dbo:inchi "InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3" ;
dbo:iupacName "(2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "28935"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC(=C(C=C1Cl)I)Cl" ;
dbp:inchikey "LFVLUOAHQIVABZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jodffs" ;
skos:prefLabel "jodfenfos"@nl .
csc:OYPRJOBELJOOCE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5460341 ;
dbo:casNumber "7789-78-8" , "7440-70-2" , "8047-59-4" ;
dbo:formula "Ca" ;
dbo:inchi "InChI=1S/Ca" ;
dbo:iupacName "Calcium"@en ;
dbo:pubchem "5460341"^^xsd:int ;
dbo:smiles "[Ca]" ;
dbp:inchikey "OYPRJOBELJOOCE-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_A_009 ;
skos:broader csc:CHEMONTID_0000428 ;
skos:exactMatch wise:CAS_7440-70-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ca" ;
skos:prefLabel "calcium"@nl ;
vcs:vmmParameterId "2114"^^xsd:int , "1257"^^xsd:int , "985"^^xsd:int , "1925"^^xsd:int , "741"^^xsd:int .
csc:LQKWPGAPADIOSS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29218 ;
dbo:casNumber "18699-48-4" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-5-7-14(8-6-13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3" ;
dbo:iupacName "bis(2-methylpropyl) benzene-1,4-dicarboxylate"@en ;
dbo:pubchem "29218"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C1=CC=C(C=C1)C(=O)OCC(C)C" ;
dbp:inchikey "LQKWPGAPADIOSS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terfzDiC4yEs" ;
skos:prefLabel "tereftaalzuur diisobutylester"@nl .
csc:ZIUSSTSXXLLKKK-KOBPDPAPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5281767 ;
dbo:casNumber "458-37-7" ;
dbo:formula "C21H20O6" ;
dbo:inchi "InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-" ;
dbo:iupacName "['5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one', '(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one']"@en ;
dbo:pubchem "5281767"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)C=CC(=CC(=O)C=CC2=CC(=C(C=C2)O)OC)O)O" ;
dbp:inchikey "ZIUSSTSXXLLKKK-KOBPDPAPSA-N" ;
skos:broader csc:CHEMONTID_0000356 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "curcmn" ;
skos:prefLabel "curcumine"@nl .
csc:DVKJHBMWWAPEIU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:11443 ;
dbo:casNumber "26006-20-2" , "86-91-9" , "26471-62-5" , "584-84-9" , "1321-38-6" , "59539-76-3" ;
dbo:formula "C9H6N2O2" ;
dbo:inchi "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" ;
dbo:iupacName "2,4-Diisocyanato-1-methylbenzene"@en ;
dbo:pubchem "11443"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N=C=O)N=C=O" ;
dbp:inchikey "DVKJHBMWWAPEIU-UHFFFAOYSA-N" ;
skos:altLabel "2,4-tolueendiisocyanaat"@nl , "2,4-tolueendi-isocyanaat"@nl ;
skos:broader csc:CHEMONTID_0003983 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24TolDiCN" ;
skos:prefLabel "2,4-tolueendi-isocyanaat "@nl .
csc:VWAMTBXLZPEDQO-FWEXOAGLSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23725090 ;
dbo:casNumber "145435-72-9" ;
dbo:formula "C40H76N2O12" ;
dbo:inchi "InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25?,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1" ;
dbo:iupacName "(2R,3S,4R,5S,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-7-propyl-1-oxa-7-azacyclopentadecan-15-one"@en ;
dbo:pubchem "23725090"^^xsd:int ;
dbo:smiles "CCCN1CC(C(C(C(OC(=O)C(C(C(C(C(CC1C)(C)O)OC2C(C(CC(O2)C)N(C)C)O)C)OC3CC(C(C(O3)C)O)(C)OC)C)CC)(C)O)O)C" ;
dbp:inchikey "VWAMTBXLZPEDQO-FWEXOAGLSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "gamithromycine"@nl .
csc:RDQSIADLBQFVMY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12867 ;
dbo:casNumber "719-22-2" ;
dbo:formula "C14H20O2" ;
dbo:inchi "InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3" ;
dbo:iupacName "2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione"@en ;
dbo:pubchem "12867"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C" ;
dbp:inchikey "RDQSIADLBQFVMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001563 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DttC4y14be" ;
skos:prefLabel "2,6-di-tert-butyl-1,4-benzochinon"@nl .
csc:RYXHOMYVWAEKHL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5460479 ;
dbo:casNumber "31665-25-5" , "7440-68-8" , "76971-83-0" ;
dbo:formula "At" ;
dbo:inchi "InChI=1S/At" ;
dbo:iupacName "astatine"@en ;
dbo:pubchem "5460479"^^xsd:int ;
dbo:smiles "[At]" ;
dbp:inchikey "RYXHOMYVWAEKHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000432 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "At" ;
skos:prefLabel "astatium"@nl .
csc:PMHURSZHKKJGBM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:73672 ;
dbo:casNumber "82558-50-7" ;
dbo:formula "C18H24N2O4" ;
dbo:inchi "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" ;
dbo:iupacName "2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide"@en ;
dbo:pubchem "73672"^^xsd:int ;
dbo:smiles "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" ;
dbp:inchikey "PMHURSZHKKJGBM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "isxbn" ;
skos:prefLabel "isoxaben"@nl .
csc:KGVXVPRLBMWZLG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:116545 ;
dbo:casNumber "64118-84-9" ;
dbo:formula "C14H11Cl2NO3" ;
dbo:inchi "InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)" ;
dbo:iupacName "2-[2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenyl]acetic acid"@en ;
dbo:pubchem "116545"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl" ;
dbp:inchikey "KGVXVPRLBMWZLG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4HoxDcfnc" ;
skos:prefLabel "4'-hydroxydiclofenac"@nl .
csc:JBDHZKLJNAIJNC-LLVKDONJSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:92431 ;
dbo:casNumber "105512-06-9" , "126572-25-6" , "126301-94-8" ;
dbo:formula "C17H13ClFNO4" ;
dbo:inchi "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" ;
dbo:iupacName "prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate"@en ;
dbo:pubchem "92431"^^xsd:int ;
dbo:smiles "CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F" ;
dbp:inchikey "JBDHZKLJNAIJNC-LLVKDONJSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clodnfppgl" ;
skos:prefLabel "clodinafop-propargyl"@nl .
csc:YKNWIILGEFFOPE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12406 ;
dbo:casNumber "629-99-2" ;
dbo:formula "C25H52" ;
dbo:inchi "InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3" ;
dbo:iupacName "PENTACOSANE"@en ;
dbo:pubchem "12406"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "YKNWIILGEFFOPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C25a" ;
skos:prefLabel "pentacosaan"@nl .
csc:CURUTKGFNZGFSE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3042 ;
dbo:casNumber "77-19-0" , "104959-55-9" ;
dbo:formula "C19H35NO2" ;
dbo:inchi "InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3" ;
dbo:iupacName "2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate"@en ;
dbo:pubchem "3042"^^xsd:int ;
dbo:smiles "CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2" ;
dbp:inchikey "CURUTKGFNZGFSE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dccvrne" ;
skos:prefLabel "dicycloverine"@nl .
csc:ROKVVMOXSZIDEG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:42163 ;
dbo:casNumber "57213-69-1" ;
dbo:formula "C13H19Cl3N2O3" ;
dbo:inchi "InChI=1S/C7H4Cl3NO3.C6H15N/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;1-4-7(5-2)6-3/h1H,2H2,(H,12,13);4-6H2,1-3H3" ;
dbo:iupacName "N,N-diethylethanamine; 2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid"@en ;
dbo:pubchem "42163"^^xsd:int ;
dbo:smiles "CCN(CC)CC.C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl" ;
dbp:inchikey "ROKVVMOXSZIDEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yAeTcpr" ;
skos:prefLabel "triethylamine-triclopyr"@nl .
csc:VIXPKJNAOIWFMW-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9808235 ;
dbo:casNumber "70755-47-4" ;
dbo:formula "C34H72BrN" ;
dbo:inchi "InChI=1S/C34H72N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dihexadecyl-dimethylazanium bromide"@en ;
dbo:pubchem "9808235"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]" ;
dbp:inchikey "VIXPKJNAOIWFMW-UHFFFAOYSA-M" ;
skos:altLabel "dihexadecyldimethylammonium bromide"@nl ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC16yDC1yNH4" ;
skos:prefLabel "dihexadecyldimethylammonium"@nl .
csc:NQPDZGIKBAWPEJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7991 ;
dbo:casNumber "12124-87-7" , "109-52-4" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" ;
dbo:iupacName "Pentanoic acid"@en ;
dbo:pubchem "7991"^^xsd:int ;
dbo:smiles "CCCCC(=O)O" ;
dbp:inchikey "NQPDZGIKBAWPEJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000333 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "valrazr" ;
skos:prefLabel "valeriaanzuur"@nl .
csc:AJAKLDUGVSKVDG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:102459 ;
dbo:casNumber "645-72-7" ;
dbo:formula "C20H42O" ;
dbo:inchi "InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3" ;
dbo:iupacName "3,7,11,15-Tetramethylhexadecan-1-ol"@en ;
dbo:pubchem "102459"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(C)CCO" ;
dbp:inchikey "AJAKLDUGVSKVDG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "371115T4C1y1" ;
skos:prefLabel "3,7,11,15-tetramethyl-1hexadecanol"@nl .
csc:VZRKEAFHFMSHCD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104150 ;
dbo:casNumber "52304-36-6" , "362607-57-6" ;
dbo:formula "C11H21NO3" ;
dbo:inchi "InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3" ;
dbo:iupacName "ethyl 3-(acetyl-butylamino)propanoate"@en ;
dbo:pubchem "104150"^^xsd:int ;
dbo:smiles "CCCCN(CCC(=O)OCC)C(=O)C" ;
dbp:inchikey "VZRKEAFHFMSHCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EBAAP" ;
skos:prefLabel "ethylbutylactetylaminopropionaat"@nl .
csc:MLFHJEHSLIIPHL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31276 ;
dbo:casNumber "123-92-2" , "29732-50-1" ;
dbo:formula "C7H14O2" ;
dbo:inchi "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" ;
dbo:iupacName "3-Methylbutyl acetate"@en ;
dbo:pubchem "31276"^^xsd:int ;
dbo:smiles "CC(C)CCOC(=O)C" ;
dbp:inchikey "MLFHJEHSLIIPHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iamactt" ;
skos:prefLabel "iso-amylacetaat"@nl .
csc:QQODLKZGRKWIFG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104926 ;
dbo:casNumber "83855-46-3" , "68359-37-5" ;
dbo:formula "C22H18Cl2FNO3" ;
dbo:inchi "InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3" ;
dbo:iupacName "[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "104926"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C" ;
dbp:inchikey "QQODLKZGRKWIFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyftn" ;
skos:prefLabel "cyfluthrin"@nl .
csc:JDSHMPZPIAZGSV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7955 ;
dbo:casNumber "94977-27-2" , "68379-55-5" , "67757-43-1" , "130392-03-9" , "70371-19-6" , "169314-62-9" , "504-18-7" , "65544-34-5" , "108-78-1" ;
dbo:formula "C3H6N6" ;
dbo:inchi "InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)" ;
dbo:iupacName "1,3,5-Triazine-2,4,6-triamine"@en ;
dbo:pubchem "7955"^^xsd:int ;
dbo:smiles "C1(=NC(=NC(=N1)N)N)N" ;
dbp:inchikey "JDSHMPZPIAZGSV-UHFFFAOYSA-N" ;
skos:altLabel "1,3,5-Triazine-2,4,6-triamine (Melamine)"@nl ;
skos:broader csc:CHEMONTID_0004105 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135Tazn246TA" ;
skos:prefLabel "1,3,5-triazine-2,4,6-triamine"@nl .
csc:AEHJMNVBLRLZKK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11488729 ;
dbo:casNumber "179101-81-6" ;
dbo:formula "C18H14Cl4F3NO3" ;
dbo:inchi "InChI=1S/C18H14Cl4F3NO3/c19-13-8-12(27-7-4-15(21)22)9-14(20)17(13)29-6-1-5-28-16-3-2-11(10-26-16)18(23,24)25/h2-4,8-10H,1,5-7H2" ;
dbo:iupacName "2-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(trifluoromethyl)pyridine"@en ;
dbo:pubchem "11488729"^^xsd:int ;
dbo:smiles "C1=CC(=NC=C1C(F)(F)F)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl" ;
dbp:inchikey "AEHJMNVBLRLZKK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdll" ;
skos:prefLabel "pyridalyl"@nl .
csc:NAWDYIZEMPQZHO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23992 ;
dbo:casNumber "110424-81-2" , "7440-64-4" ;
dbo:formula "Yb" ;
dbo:inchi "InChI=1S/Yb" ;
dbo:iupacName "YTTERBIUM"@en ;
dbo:pubchem "23992"^^xsd:int ;
dbo:smiles "[Yb]" ;
dbp:inchikey "NAWDYIZEMPQZHO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Yb" ;
skos:prefLabel "ytterbium"@nl .
csc:PGYPOBZJRVSMDS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:71420 ;
dbo:casNumber "34552-83-5" , "53179-11-6" ;
dbo:formula "C29H34Cl2N2O2" ;
dbo:inchi "InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H" ;
dbo:iupacName "4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-di(phenyl)butanamide hydrochloride"@en ;
dbo:pubchem "71420"^^xsd:int ;
dbo:smiles "CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl" ;
dbp:inchikey "PGYPOBZJRVSMDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lopAd" ;
skos:prefLabel "loperamide"@nl .
csc:QQZOPKMRPOGIEB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11583 ;
dbo:casNumber "30637-87-7" , "591-78-6" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" ;
dbo:iupacName "hexan-2-one"@en ;
dbo:pubchem "11583"^^xsd:int ;
dbo:smiles "CCCCC(=O)C" ;
dbp:inchikey "QQZOPKMRPOGIEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C6on" ;
skos:prefLabel "2-hexanon"@nl .
csc:MQVSLOYRCXQRPM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23943 ;
dbo:casNumber "7440-11-1" ;
dbo:formula "Md" ;
dbo:inchi "InChI=1S/Md" ;
dbo:iupacName "MENDELEVIUM"@en ;
dbo:pubchem "23943"^^xsd:int ;
dbo:smiles "[Md]" ;
dbp:inchikey "MQVSLOYRCXQRPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Md" ;
skos:prefLabel "mendelevium"@nl .
csc:VOZIAWLUULBIPN-DFYAAVTESA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6436669 ;
dbo:casNumber "51596-11-3" ;
dbo:formula "C32H46O7" ;
dbo:inchi "InChI=1S/C32H46O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+/t19?,21?,24-,25+,26+,27?,28-,29-,31-,32-/m1/s1" ;
dbo:iupacName "(1R,4S,6R,8R,10E,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one"@en ;
dbo:pubchem "6436669"^^xsd:int ;
dbo:smiles "CCC1C(CCC2(O1)CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)C)C" ;
dbp:inchikey "VOZIAWLUULBIPN-DFYAAVTESA-N" ;
skos:altLabel "milbemycin a4"@nl ;
skos:broader csc:CHEMONTID_0002902 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "milbmcA4" ;
skos:prefLabel "milbemycin A4"@nl .
csc:NZOWVZVFSVRNOR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41735 ;
dbo:casNumber "56073-07-5" ;
dbo:formula "C31H24O3" ;
dbo:inchi "InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,33H,18-19H2" ;
dbo:iupacName "2-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one"@en ;
dbo:pubchem "41735"^^xsd:int ;
dbo:smiles "C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6" ;
dbp:inchikey "NZOWVZVFSVRNOR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002044 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfncm" ;
skos:prefLabel "difenacoum"@nl .
csc:NLHHRLWOUZZQLW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II Art. 5.7.1.4/ Art. 5.7.7.1/Art. 5.7.13.1"@nl , "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7855 ;
dbo:casNumber "29754-21-0" , "63908-52-1" , "107-13-1" ;
dbo:formula "C3H3N" ;
dbo:inchi "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" ;
dbo:iupacName "prop-2-enenitrile"@en ;
dbo:pubchem "7855"^^xsd:int ;
dbo:smiles "C=CC#N" ;
dbp:inchikey "NLHHRLWOUZZQLW-UHFFFAOYSA-N" ;
skos:altLabel "acrylonitril"@nl ;
skos:broader csc:CHEMONTID_0000362 ;
skos:exactMatch wise:CAS_107-13-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aclntl" ;
skos:prefLabel "acrylonitrile"@nl ;
vcs:vmmParameterId "528"^^xsd:int .
csc:VTRWMTJQBQJKQH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93486 ;
dbo:casNumber "88678-67-5" ;
dbo:formula "C18H22N2O2S" ;
dbo:inchi "InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3" ;
dbo:iupacName "O-(3-tert-butylphenyl) [(6-methoxypyridin-2-yl)-methylamino]methanethioate"@en ;
dbo:pubchem "93486"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=CC=C1)OC(=S)N(C)C2=NC(=CC=C2)OC" ;
dbp:inchikey "VTRWMTJQBQJKQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrbtcb" ;
skos:prefLabel "pyributicarb"@nl .
csc:WEJZHZJJXPXXMU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36399 ;
dbo:casNumber "33284-50-3" ;
dbo:formula "C12H8Cl2" ;
dbo:inchi "InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H" ;
dbo:iupacName "2,4-dichloro-1-phenylbenzene"@en ;
dbo:pubchem "36399"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "WEJZHZJJXPXXMU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2,4-dichloorbifenyl (pcb 7)"@nl .
csc:YOYAIZYFCNQIRF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3031 ;
dbo:casNumber "1194-65-6" , "104809-79-2" ;
dbo:formula "C7H3Cl2N" ;
dbo:inchi "InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H" ;
dbo:iupacName "2,6-Dichlorobenzonitrile"@en ;
dbo:pubchem "3031"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C#N)Cl" ;
dbp:inchikey "YOYAIZYFCNQIRF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_1194-65-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcbnl" ;
skos:prefLabel "dichlobenil"@nl ;
vcs:vmmParameterId "1019"^^xsd:int .
csc:INISTDXBRIBGOC-XMMISQBUSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91768 ;
dbo:casNumber "102851-06-9" ;
dbo:formula "C26H22ClF3N2O3" ;
dbo:inchi "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoate"@en ;
dbo:pubchem "91768"^^xsd:int ;
dbo:smiles "CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" ;
dbp:inchikey "INISTDXBRIBGOC-XMMISQBUSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "taufvlnt" ;
skos:prefLabel "tau-fluvalinaat"@nl .
csc:IGGUPRCHHJZPBS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12409 ;
dbo:casNumber "630-03-5" ;
dbo:formula "C29H60" ;
dbo:inchi "InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3" ;
dbo:iupacName "Nonacosane"@en ;
dbo:pubchem "12409"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "IGGUPRCHHJZPBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C29a" ;
skos:prefLabel "nonacosaan"@nl .
csc:OILXMJHPFNGGTO-BQYQJAHWSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5365965 ;
dbo:casNumber "17472-78-5" ;
dbo:formula "C28H46O" ;
dbo:inchi "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+" ;
dbo:iupacName "['17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol', '17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol']"@en ;
dbo:pubchem "5365965"^^xsd:int ;
dbo:smiles "CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C" ;
dbp:inchikey "OILXMJHPFNGGTO-BQYQJAHWSA-N" ;
skos:altLabel "(24S)-ergosta-5,22(E)-dien-3beta-ol"@nl ;
skos:broader csc:CHEMONTID_0001403 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24Segs522E-d" ;
skos:prefLabel "(24s)-ergosta-5,22(e)-dien-3beta-ol"@nl .
csc:HMSWAIKSFDFLKN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12407 ;
dbo:casNumber "630-01-3" ;
dbo:formula "C26H54" ;
dbo:inchi "InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3" ;
dbo:iupacName "HEXACOSANE"@en ;
dbo:pubchem "12407"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "HMSWAIKSFDFLKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C26a" ;
skos:prefLabel "hexacosaan"@nl .
csc:KRZUZYJEQBXUIN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:50590 ;
dbo:casNumber "69581-33-5" ;
dbo:formula "C14H14ClNO3" ;
dbo:inchi "InChI=1S/C14H14ClNO3/c15-10-2-1-3-11(8-10)16(13(17)9-4-5-9)12-6-7-19-14(12)18/h1-3,8-9,12H,4-7H2" ;
dbo:iupacName "N-(3-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide"@en ;
dbo:pubchem "50590"^^xsd:int ;
dbo:smiles "C1CC1C(=O)N(C2CCOC2=O)C3=CC(=CC=C3)Cl" ;
dbp:inchikey "KRZUZYJEQBXUIN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cypfrm" ;
skos:prefLabel "cyprofuram"@nl .
csc:KQPKPCNLIDLUMF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5193 ;
dbo:casNumber "76-73-3" , "29071-21-4" ;
dbo:formula "C12H18N2O3" ;
dbo:inchi "InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)" ;
dbo:iupacName "5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "5193"^^xsd:int ;
dbo:smiles "CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C" ;
dbp:inchikey "KQPKPCNLIDLUMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "secbbtl" ;
skos:prefLabel "secobarbital"@nl .
csc:VILFVXYKHXVYAB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66707 ;
dbo:casNumber "92-41-1" ;
dbo:formula "C10H8O6S2" ;
dbo:inchi "InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16)" ;
dbo:iupacName "Naphthalene-2,7-disulfonic acid"@en ;
dbo:pubchem "66707"^^xsd:int ;
dbo:smiles "C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O" ;
dbp:inchikey "VILFVXYKHXVYAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf27Dsfzr" ;
skos:prefLabel "naftaleen-2,7-disulfonzuur"@nl .
csc:XJKKSYAVEVAGFX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43867 ;
dbo:casNumber "62016-34-6" ;
dbo:formula "C11H24" ;
dbo:inchi "InChI=1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3" ;
dbo:iupacName "2,3,7-TRIMETHYLOCTANE"@en ;
dbo:pubchem "43867"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C(C)C" ;
dbp:inchikey "XJKKSYAVEVAGFX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "237TC1yC8a" ;
skos:prefLabel "2,3,7-trimethyloctaan"@nl .
csc:UFEODZBUAFNAEU-NLRVBDNBSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11048796 ;
dbo:casNumber "361377-29-9" ;
dbo:formula "C21H16ClFN4O5" ;
dbo:inchi "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" ;
dbo:iupacName "1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine"@en ;
dbo:pubchem "11048796"^^xsd:int ;
dbo:smiles "CON=C(C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)C4=NOCCO4" ;
dbp:inchikey "UFEODZBUAFNAEU-NLRVBDNBSA-N" ;
skos:broader csc:CHEMONTID_0002463 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tfluoxsbn" ;
skos:prefLabel "trans-fluoxastrobin"@nl .
csc:RQOIAWYOVOXMST-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91782 ;
dbo:casNumber "168316-95-8" ;
dbo:formula "C42H71NO9" ;
dbo:inchi "InChI=1S/C42H71NO9/c1-10-27-12-11-13-35(52-38-17-16-34(43(5)6)25(4)49-38)24(3)39(45)33-21-31-29(32(33)22-37(44)51-27)15-14-26-19-28(20-30(26)31)50-36-18-23(2)40(46-7)42(48-9)41(36)47-8/h23-36,38,40-42H,10-22H2,1-9H3" ;
dbo:iupacName "15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-(2,3,4-trimethoxy-5-methylcyclohexyl)oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosane-13,21-dione"@en ;
dbo:pubchem "91782"^^xsd:int ;
dbo:smiles "CCC1CCCC(C(C(=O)C2CC3C(C2CC(=O)O1)CCC4C3CC(C4)OC5CC(C(C(C5OC)OC)OC)C)C)OC6CCC(C(O6)C)N(C)C" ;
dbp:inchikey "RQOIAWYOVOXMST-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001675 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spinsd" ;
skos:prefLabel "spinosad"@nl .
csc:RKLLTEAEZIJBAU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36185 ;
dbo:casNumber "32598-10-0" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6H" ;
dbo:iupacName "1,2-dichloro-4-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "36185"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C=C(C=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "RKLLTEAEZIJBAU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB66" ;
skos:prefLabel "2,3,4,4-tetrachloorbifenyl"@nl .
csc:AIKKULXCBHRFOS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17345 ;
dbo:casNumber "2540-82-1" ;
dbo:formula "C6H12NO4PS2" ;
dbo:inchi "InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3" ;
dbo:iupacName "2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide"@en ;
dbo:pubchem "17345"^^xsd:int ;
dbo:smiles "CN(C=O)C(=O)CSP(=S)(OC)OC" ;
dbp:inchikey "AIKKULXCBHRFOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001658 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "formton" ;
skos:prefLabel "formothion"@nl .
csc:HCGFUIQPSOCUHI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7996 ;
dbo:casNumber "63992-09-6" , "109-59-1" ;
dbo:formula "C5H12O2" ;
dbo:inchi "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "2-propan-2-yloxyethanol"@en ;
dbo:pubchem "7996"^^xsd:int ;
dbo:smiles "CC(C)OCCO" ;
dbp:inchikey "HCGFUIQPSOCUHI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ipropxC2ol" ;
skos:prefLabel "isopropoxyethanol"@nl .
csc:YOSHYTLCDANDAN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3749 ;
dbo:casNumber "138402-11-6" ;
dbo:formula "C25H28N6O" ;
dbo:inchi "InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)" ;
dbo:iupacName "2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one"@en ;
dbo:pubchem "3749"^^xsd:int ;
dbo:smiles "CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5" ;
dbp:inchikey "YOSHYTLCDANDAN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "irbstan" ;
skos:prefLabel "irbesartan"@nl .
csc:NIXXQNOQHKNPEJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:213012 ;
dbo:casNumber "150114-71-9" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" ;
dbo:iupacName "4-amino-3,6-dichloropyridine-2-carboxylic acid"@en ;
dbo:pubchem "213012"^^xsd:int ;
dbo:smiles "C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N" ;
dbp:inchikey "NIXXQNOQHKNPEJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002414 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Aoprld" ;
skos:prefLabel "aminopyralid"@nl .
csc:PFJJMJDEVDLPNE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62306 ;
dbo:casNumber "98730-04-2" ;
dbo:formula "C11H11Cl2NO2" ;
dbo:inchi "InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3" ;
dbo:iupacName "2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone"@en ;
dbo:pubchem "62306"^^xsd:int ;
dbo:smiles "CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl" ;
dbp:inchikey "PFJJMJDEVDLPNE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001396 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benoacr" ;
skos:prefLabel "benoxacor"@nl .
csc:WHPVYXDFIXRKLN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36159 ;
dbo:casNumber "32534-81-9" , "60348-60-9" , "132405-96-0" , "134206-43-2" ;
dbo:formula "C12H5Br5O" ;
dbo:inchi "InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H" ;
dbo:iupacName "1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene"@en ;
dbo:pubchem "36159"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br" ;
dbp:inchikey "WHPVYXDFIXRKLN-UHFFFAOYSA-N" ;
skos:altLabel "bde 99"@nl , "2,2',4,4',5-pentabroomdifenylether"@nl , "pentabroomdifenylether"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_32534-81-9 , wise:CAS_60348-60-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE99" ;
skos:prefLabel "2,2',4,4',5-pentabroomdifenylether (bde99)"@nl ;
vcs:vmmParameterId "1196"^^xsd:int , "933"^^xsd:int .
csc:FRNOGLGSGLTDKL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23961 ;
dbo:casNumber "7440-30-4" , "69527-01-1" , "29687-68-1" , "110424-80-1" ;
dbo:formula "Tm" ;
dbo:inchi "InChI=1S/Tm" ;
dbo:iupacName "THULIUM"@en ;
dbo:pubchem "23961"^^xsd:int ;
dbo:smiles "[Tm]" ;
dbp:inchikey "FRNOGLGSGLTDKL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tm" ;
skos:prefLabel "thulium"@nl .
csc:NLYNUTMZTCLNOO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:25912 ;
dbo:casNumber "13360-45-7" ;
dbo:formula "C9H10BrClN2O2" ;
dbo:inchi "InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" ;
dbo:iupacName "3-(4-Bromo-3-chlorophenyl)-1-methoxy-1-methylurea"@en ;
dbo:pubchem "25912"^^xsd:int ;
dbo:smiles "CN(C(=O)NC1=CC(=C(C=C1)Br)Cl)OC" ;
dbp:inchikey "NLYNUTMZTCLNOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_13360-45-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clbmrn" ;
skos:prefLabel "chloorbromuron"@nl ;
vcs:vmmParameterId "975"^^xsd:int .
csc:XMBWDFGMSWQBCA-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:30165 ;
dbo:casNumber "20461-54-5" ;
dbo:formula "I-" ;
dbo:inchi "InChI=1S/HI/h1H/p-1" ;
dbo:iupacName "Iodide"@en ;
dbo:pubchem "30165"^^xsd:int ;
dbo:smiles "[I-]" ;
dbp:inchikey "XMBWDFGMSWQBCA-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000432 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I" ;
skos:prefLabel "jodide"@nl .
csc:ZTSDOGSKTICNPQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:167547 ;
dbo:casNumber "16517-11-6" ;
dbo:formula "C18HF35O2" ;
dbo:inchi "InChI=1S/C18HF35O2/c19-2(20,1(54)55)3(21,22)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)53/h(H,54,55)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecanoic acid"@en ;
dbo:pubchem "167547"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "ZTSDOGSKTICNPQ-UHFFFAOYSA-N" ;
skos:altLabel "perfluoroctadecaanzuur"@nl , "perfluor-n-octadecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFODA" , "PFC18azr" ;
skos:prefLabel "perfluor-n-octadecaanzuur (pfoda)"@nl .
csc:RXXCIBALSKQCAE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31227 ;
dbo:casNumber "122-73-6" ;
dbo:formula "C12H18O" ;
dbo:inchi "InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3" ;
dbo:iupacName "3-methylbutoxymethylbenzene"@en ;
dbo:pubchem "31227"^^xsd:int ;
dbo:smiles "CC(C)CCOCC1=CC=CC=C1" ;
dbp:inchikey "RXXCIBALSKQCAE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002542 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benziC5yEtr" ;
skos:prefLabel "benzylisopentylether"@nl .
csc:WQAQPCDUOCURKW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8012 ;
dbo:casNumber "23601-34-5" , "109-79-5" , "32812-85-4" ;
dbo:formula "C4H10S" ;
dbo:inchi "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" ;
dbo:iupacName "butane-1-thiol"@en ;
dbo:pubchem "8012"^^xsd:int ;
dbo:smiles "CCCCS" ;
dbp:inchikey "WQAQPCDUOCURKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C4atol" ;
skos:prefLabel "1-butaanthiol"@nl .
csc:HRKAMJBPFPHCSD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31355 ;
dbo:casNumber "126-71-6" ;
dbo:formula "C12H27O4P" ;
dbo:inchi "InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3" ;
dbo:iupacName "tris(2-methylpropyl) phosphate"@en ;
dbo:pubchem "31355"^^xsd:int ;
dbo:smiles "CC(C)COP(=O)(OCC(C)C)OCC(C)C" ;
dbp:inchikey "HRKAMJBPFPHCSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TiC4yPO4" ;
skos:prefLabel "triisobutylfosfaat"@nl .
csc:PORWMNRCUJJQNO-BKFZFHPZSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6337091 ;
dbo:casNumber "15759-52-1" ;
dbo:formula "Te" ;
dbo:inchi "InChI=1S/Te/i1+5" ;
dbo:iupacName "tellurium-133"@en ;
dbo:pubchem "6337091"^^xsd:int ;
dbo:smiles "[Te]" ;
dbp:inchikey "PORWMNRCUJJQNO-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Te133" ;
skos:prefLabel "tellurium 133"@nl .
csc:OFRYBPCSEMMZHR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:114962 ;
dbo:casNumber "56392-16-6" ;
dbo:formula "C15H25NO4" ;
dbo:inchi "InChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3" ;
dbo:iupacName "1-[4-(1-hydroxy-2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "114962"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)C(COC)O)O" ;
dbp:inchikey "OFRYBPCSEMMZHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aHOxmtpll" ;
skos:prefLabel "alfa-hydroxymetoprolol"@nl .
csc:MGRVRXRGTBOSHW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14017 ;
dbo:casNumber "1066-51-9" ;
dbo:formula "CH6NO3P" ;
dbo:inchi "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" ;
dbo:iupacName "AMINOMETHYLPHOSPHONIC ACID"@en ;
dbo:pubchem "14017"^^xsd:int ;
dbo:smiles "C(N)P(=O)(O)O" ;
dbp:inchikey "MGRVRXRGTBOSHW-UHFFFAOYSA-N" ;
skos:altLabel "ampa"@nl ;
skos:broader csc:CHEMONTID_0001302 ;
skos:exactMatch wise:CAS_1066-51-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AMPA" ;
skos:prefLabel "aminomethylfosfonzuur"@nl ;
vcs:vmmParameterId "764"^^xsd:int .
csc:SQCZQTSHSZLZIQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10977 ;
dbo:casNumber "543-59-9" , "29656-63-1" ;
dbo:formula "C5H11Cl" ;
dbo:inchi "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" ;
dbo:iupacName "1-Chloropentane"@en ;
dbo:pubchem "10977"^^xsd:int ;
dbo:smiles "CCCCCCl" ;
dbp:inchikey "SQCZQTSHSZLZIQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClC5a" ;
skos:prefLabel "1-chloorpentaan"@nl .
csc:LAZPBGZRMVRFKY-HNCPQSOCSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:27944 ;
dbo:casNumber "24593-45-1" , "74191-78-9" , "14769-73-4" , "39170-95-1" , "16595-80-5" ;
dbo:formula "C11H13ClN2S" ;
dbo:inchi "InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1" ;
dbo:iupacName "(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride"@en ;
dbo:pubchem "27944"^^xsd:int ;
dbo:smiles "C1CSC2=NC(CN21)C3=CC=CC=C3.Cl" ;
dbp:inchikey "LAZPBGZRMVRFKY-HNCPQSOCSA-N" ;
skos:broader csc:CHEMONTID_0000756 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "levmsl" ;
skos:prefLabel "levamisol"@nl .
csc:KRHYYFGTRYWZRS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 2.5.1 'fluorwaterstof'"@nl , "VLAR III (D3) 'HF'"@nl , "VLAR II (D5) 'HF'"@nl , "VLAR III (D3) 'waterstoffluoride(HF)'"@nl ;
rdfs:seeAlso compound:14917 ;
dbo:casNumber "7664-39-3" , "32057-09-3" , "37249-79-9" ;
dbo:formula "FH" ;
dbo:inchi "InChI=1S/FH/h1H" ;
dbo:iupacName "['Hydrogen fluoride', 'hydron fluoride']"@en ;
dbo:pubchem "14917"^^xsd:int ;
dbo:smiles "F" ;
dbp:inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_006 ;
skos:altLabel "waterstoffluoride (HF)"@nl , "waterstoffluoride (hf)"@nl ;
skos:broader csc:CHEMONTID_0000548 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HF" ;
skos:prefLabel "waterstoffluoride"@nl .
csc:QCDWFXQBSFUVSP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31236 ;
dbo:casNumber "37220-49-8" , "122-99-6" , "56257-90-0" , "79586-53-1" , "18249-17-7" , "134367-25-2" , "200260-63-5" , "9004-78-8" ;
dbo:formula "C8H10O2" ;
dbo:inchi "InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2" ;
dbo:iupacName "2-(phenoxy)ethanol"@en ;
dbo:pubchem "31236"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OCCO" ;
dbp:inchikey "QCDWFXQBSFUVSP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2fenOxC2ol" ;
skos:prefLabel "2-fenoxyethanol"@nl .
csc:YOBPSXOHCHDCMU-VKZZUTNHSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9570832 ;
dbo:casNumber "73384-59-5" , "74578-69-1" ;
dbo:formula "C18H17N8NaO7S3" ;
dbo:inchi "InChI=1S/C18H18N8O7S3.Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);/q;+1/p-1/b24-8-;/t9-,15-;/m1./s1" ;
dbo:iupacName "sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "9570832"^^xsd:int ;
dbo:smiles "CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]" ;
dbp:inchikey "YOBPSXOHCHDCMU-VKZZUTNHSA-M" ;
skos:broader csc:CHEMONTID_0001189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefTaxn" ;
skos:prefLabel "ceftriaxon"@nl .
csc:DTGDZMYNKLTSKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11300 ;
dbo:casNumber "570-74-1" ;
dbo:formula "C27H46" ;
dbo:inchi "InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3" ;
dbo:iupacName "10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene"@en ;
dbo:pubchem "11300"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCCC4)C)C" ;
dbp:inchikey "DTGDZMYNKLTSKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003566 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5choletne" ;
skos:prefLabel "5-cholestene"@nl .
csc:JCXGWMGPZLAOME-AKLPVKDBSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335500 ;
dbo:casNumber "14913-49-6" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1+3" ;
dbo:iupacName "bismuth-212"@en ;
dbo:pubchem "6335500"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "JCXGWMGPZLAOME-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi212" ;
skos:prefLabel "bismuth 212"@nl .
csc:GQEZCXVZFLOKMC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12395 ;
dbo:casNumber "629-73-2" , "26952-14-7" , "68855-59-4" ;
dbo:formula "C16H32" ;
dbo:inchi "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" ;
dbo:iupacName "hexadec-1-ene"@en ;
dbo:pubchem "12395"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCC=C" ;
dbp:inchikey "GQEZCXVZFLOKMC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C16e" ;
skos:prefLabel "1-hexadeceen"@nl .
csc:YVPYQUNUQOZFHG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2140 ;
dbo:casNumber "117-96-4" ;
dbo:formula "C11H9I3N2O4" ;
dbo:inchi "InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)" ;
dbo:iupacName "3,5-Diacetamido-2,4,6-triiodobenzoic acid"@en ;
dbo:pubchem "2140"^^xsd:int ;
dbo:smiles "CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I" ;
dbp:inchikey "YVPYQUNUQOZFHG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amdTzinzr" ;
skos:prefLabel "amidotrizo\uFFFDnezuur"@nl .
csc:DWZSTEUTHNUVQD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41718 ;
dbo:casNumber "56070-16-7" ;
dbo:formula "C9H21O4PS3" ;
dbo:inchi "InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3" ;
dbo:iupacName "tert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "41718"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C" ;
dbp:inchikey "DWZSTEUTHNUVQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbfsfn" ;
skos:prefLabel "terbufos-sulfon"@nl .
csc:GIUKJJMBQBRFTN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:145710 ;
dbo:casNumber "3868-61-9" ;
dbo:formula "C9H4Cl6O2" ;
dbo:inchi "InChI=1S/C9H4Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3H,1H2" ;
dbo:iupacName "1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one"@en ;
dbo:pubchem "145710"^^xsd:int ;
dbo:smiles "C1C2C(C(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "GIUKJJMBQBRFTN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001245 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endsfltn" ;
skos:prefLabel "endosulfanlacton"@nl .
csc:KJBDZJFSYQUNJT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91633 ;
dbo:casNumber "40186-70-7" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-5(10(17)7(15)2-4)9-6(14)3-8(16)11(18)12(9)19/h1-3H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,3,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "91633"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "KJBDZJFSYQUNJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB175" ;
skos:prefLabel "2,2',3,3',4,5,6-heptachloorbifenyl"@nl .
csc:FKLQIONHGSFYJY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3083545 ;
dbo:casNumber "174514-07-9" ;
dbo:formula "C15H12BrClF4N2O2" ;
dbo:inchi "InChI=1S/C15H12BrClF4N2O2/c1-6(2)25-14(24)7-4-8(10(18)5-9(7)17)12-11(16)13(15(19,20)21)23(3)22-12/h4-6H,1-3H3" ;
dbo:iupacName "propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate"@en ;
dbo:pubchem "3083545"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C1=C(C=C(C(=C1)C2=NN(C(=C2Br)C(F)(F)F)C)F)Cl" ;
dbp:inchikey "FKLQIONHGSFYJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazlt" ;
skos:prefLabel "fluazolaat"@nl .
csc:IQVNEKKDSLOHHK-FNCQTZNRSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281875 ;
dbo:casNumber "67485-29-4" , "70829-12-8" ;
dbo:formula "C25H24F6N4" ;
dbo:inchi "InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+" ;
dbo:iupacName "['N-[1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylideneamino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine', 'N-[[(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene]amino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine']"@en ;
dbo:pubchem "5281875"^^xsd:int ;
dbo:smiles "CC1(CNC(=NC1)NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC3=CC=C(C=C3)C(F)(F)F)C" ;
dbp:inchikey "IQVNEKKDSLOHHK-FNCQTZNRSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hydC1ynn" ;
skos:prefLabel "hydramethylnon"@nl .
csc:VEVZCONIUDBCDC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:73668 ;
dbo:casNumber "56425-91-3" , "77125-41-8" ;
dbo:formula "C15H15F3N2O2" ;
dbo:inchi "InChI=1S/C15H15F3N2O2/c1-10(2)14(21,12-7-19-9-20-8-12)11-3-5-13(6-4-11)22-15(16,17)18/h3-10,21H,1-2H3" ;
dbo:iupacName "2-methyl-1-pyrimidin-5-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol"@en ;
dbo:pubchem "73668"^^xsd:int ;
dbo:smiles "CC(C)C(C1=CC=C(C=C1)OC(F)(F)F)(C2=CN=CN=C2)O" ;
dbp:inchikey "VEVZCONIUDBCDC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurpmdl" ;
skos:prefLabel "flurprimidol"@nl .
csc:YUAUPYJCVKNAEC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:43714 ;
dbo:casNumber "61676-87-7" ;
dbo:formula "C12H14N2S" ;
dbo:inchi "InChI=1S/C12H14N2S/c1-9-4-5-11(10(2)8-9)13-12-14(3)6-7-15-12/h4-8H,1-3H3" ;
dbo:iupacName "N-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-imine"@en ;
dbo:pubchem "43714"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N=C2N(C=CS2)C)C" ;
dbp:inchikey "YUAUPYJCVKNAEC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cymazl" ;
skos:prefLabel "cymiazool"@nl .
csc:BIXZHMJUSMUDOQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7430 ;
dbo:casNumber "58916-70-4" , "99-30-9" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" ;
dbo:iupacName "2,6-Dichloro-4-nitroaniline"@en ;
dbo:pubchem "7430"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]" ;
dbp:inchikey "BIXZHMJUSMUDOQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_99-30-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DCl4NO2An" ;
skos:prefLabel "2,6-dichloor-4-nitroaniline"@nl ;
vcs:vmmParameterId "1502"^^xsd:int .
csc:RCTCYOQIGNPQJH-WEVVVXLNSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9576739 ;
dbo:casNumber "34681-24-8" ;
dbo:formula "C7H14N2O3S" ;
dbo:inchi "InChI=1S/C7H14N2O3S/c1-5(6(2)13(4)11)9-12-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+" ;
dbo:iupacName "(3-methylsulfinylbutan-2-ylideneamino) N-methylcarbamate"@en ;
dbo:pubchem "9576739"^^xsd:int ;
dbo:smiles "CC(C(=NOC(=O)NC)C)S(=O)C" ;
dbp:inchikey "RCTCYOQIGNPQJH-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butcbOxmSO" ;
skos:prefLabel "butocarboximsulfoxide"@nl .
csc:SFZCNBIFKDRMGX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II (D1, definities broeikasgassen)"@nl ;
rdfs:seeAlso compound:17358 ;
dbo:casNumber "36575-03-8" , "2551-62-4" , "29267-82-1" , "59109-69-2" ;
dbo:formula "F6S" ;
dbo:inchi "InChI=1S/F6S/c1-7(2,3,4,5)6" ;
dbo:iupacName "hexafluoro-lambda6-sulfane"@en ;
dbo:pubchem "17358"^^xsd:int ;
dbo:smiles "FS(F)(F)(F)(F)F" ;
dbp:inchikey "SFZCNBIFKDRMGX-UHFFFAOYSA-N" ;
skos:altLabel "zwavelhexafluoride (sf6)"@nl , "zwavelhexafluoride"@nl ;
skos:broader csc:CHEMONTID_0000437 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SF6" ;
skos:prefLabel "zwavelhexafluoride (SF6)"@nl .
csc:RUYUCCQRWINUHE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34466 ;
dbo:casNumber "62601-62-1" , "29082-74-4" ;
dbo:formula "C8Cl8" ;
dbo:inchi "InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(1,2,2-trichloroethenyl)benzene"@en ;
dbo:pubchem "34466"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl" ;
dbp:inchikey "RUYUCCQRWINUHE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OcClsrn" ;
skos:prefLabel "octachloorstyreen"@nl .
csc:ZLMJMSJWJFRBEC-OUBTZVSYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6328542 ;
dbo:casNumber "13966-00-2" ;
dbo:formula "K" ;
dbo:inchi "InChI=1S/K/i1+1" ;
dbo:iupacName "potassium-40"@en ;
dbo:pubchem "6328542"^^xsd:int ;
dbo:smiles "[K]" ;
dbp:inchikey "ZLMJMSJWJFRBEC-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "K40" ;
skos:prefLabel "kalium 40"@nl .
csc:MVPKIPGHRNIOPT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77849 ;
dbo:casNumber "4184-79-6" ;
dbo:formula "C8H9N3" ;
dbo:inchi "InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)" ;
dbo:iupacName "5,6-dimethyl-2H-benzotriazole"@en ;
dbo:pubchem "77849"^^xsd:int ;
dbo:smiles "CC1=CC2=NNN=C2C=C1C" ;
dbp:inchikey "MVPKIPGHRNIOPT-UHFFFAOYSA-N" ;
skos:altLabel "5,6-dimethyl-1H-benzotriazool"@nl ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "56DC1y1Hbzt2" ;
skos:prefLabel "5,6-dimethyl-1h-benzotriazool"@nl .
csc:GWEVSGVZZGPLCZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26042 ;
dbo:casNumber "39360-64-0" , "37230-94-7" , "221548-98-7" , "39320-58-6" , "195740-11-5" , "37230-96-9" , "12789-63-8" , "39379-02-7" , "101239-53-6" , "55068-84-3" , "13463-67-7" , "62338-64-1" , "246178-32-5" , "55068-85-4" , "185828-91-5" , "1344-29-2" , "1317-70-0" , "12701-76-7" , "252962-41-7" , "98084-96-9" , "1317-80-2" , "1309-63-3" , "188357-76-8" , "37230-92-5" , "224963-00-2" , "37230-95-8" , "185323-71-1" , "12767-65-6" , "12036-20-3" , "188357-79-1" , "116788-85-3" , "12000-59-8" ;
dbo:formula "O2Ti" ;
dbo:inchi "InChI=1S/2O.Ti" ;
dbo:iupacName "dioxotitanium"@en ;
dbo:pubchem "26042"^^xsd:int ;
dbo:smiles "O=[Ti]=O" ;
dbp:inchikey "GWEVSGVZZGPLCZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_B_002 ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TiO2" ;
skos:prefLabel "titaandioxide"@nl .
csc:UBCKGWBNUIFUST-BJMVGYQFSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5842000 ;
dbo:casNumber "22248-79-9" , "961-11-5" ;
dbo:formula "C10H9Cl4O4P" ;
dbo:inchi "InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+" ;
dbo:iupacName "[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate"@en ;
dbo:pubchem "5842000"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "UBCKGWBNUIFUST-BJMVGYQFSA-N" ;
skos:altLabel "cis-tetrachloorvinfos (Z-isomeer)"@nl , "cis-tetrachloorvinfos (z-isomeer)"@nl , "tetrachloorvinfos"@nl ;
skos:broader csc:CHEMONTID_0000037 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cT4Clvfs" , "T4Clvfs" ;
skos:prefLabel "tetrachloorvinfos (mixed isomeren)"@nl .
csc:PALAXWMMBSLIDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3017170 ;
dbo:casNumber "60044-24-8" ;
dbo:formula "C12H6Br4" ;
dbo:inchi "InChI=1S/C12H6Br4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H" ;
dbo:iupacName "1,2,4-tribromo-5-(2-bromophenyl)benzene"@en ;
dbo:pubchem "3017170"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=CC(=C(C=C2Br)Br)Br)Br" ;
dbp:inchikey "PALAXWMMBSLIDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB49" ;
skos:prefLabel "2,2',4,5'-tetrabroombifenyl"@nl .
csc:SMYMJHWAQXWPDB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1480 ;
dbo:casNumber "93-76-5" ;
dbo:formula "C8H5Cl3O3" ;
dbo:inchi "InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)" ;
dbo:iupacName "2-(2,4,5-trichlorophenoxy)acetic acid"@en ;
dbo:pubchem "1480"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O" ;
dbp:inchikey "SMYMJHWAQXWPDB-UHFFFAOYSA-N" ;
skos:altLabel "2,4,5-trichloorfenoxyazijnzuur"@nl , "(2,4,5-trichloorfenoxy)-azijnzuur (2,4,5-t)"@nl ;
skos:broader csc:CHEMONTID_0004525 ;
skos:exactMatch wise:CAS_93-76-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "245T" ;
skos:prefLabel "(2,4,5-trichloorfenoxy)azijnzuur (2,4,5-t)"@nl ;
vcs:vmmParameterId "229"^^xsd:int .
csc:OACYKCIZDVVNJL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61209 ;
dbo:casNumber "79299-96-0" , "765-70-8" ;
dbo:formula "C6H8O2" ;
dbo:inchi "InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3" ;
dbo:iupacName "3-Methylcyclopentane-1,2-dione"@en ;
dbo:pubchem "61209"^^xsd:int ;
dbo:smiles "CC1CCC(=O)C1=O" ;
dbp:inchikey "OACYKCIZDVVNJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1y12ccC5aD" ;
skos:prefLabel "3-methyl-1,2-cyclopentaandion"@nl .
csc:BXCUMAUHMPSRPZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:74227 ;
dbo:casNumber "1639-31-2" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3" ;
dbo:iupacName "3,4,5-Trimethylaniline"@en ;
dbo:pubchem "74227"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1C)C)N" ;
dbp:inchikey "BXCUMAUHMPSRPZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "345TC1yAn" ;
skos:prefLabel "3,4,5-trimethylaniline"@nl .
csc:ZTNANFDSJRRZRJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14536 ;
dbo:casNumber "1198-37-4" ;
dbo:formula "C11H11N" ;
dbo:inchi "InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3" ;
dbo:iupacName "2,4-Dimethylquinoline"@en ;
dbo:pubchem "14536"^^xsd:int ;
dbo:smiles "CC1=CC(=NC2=CC=CC=C12)C" ;
dbp:inchikey "ZTNANFDSJRRZRJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yqnlne" ;
skos:prefLabel "2,4-dimethylquinoline"@nl .
csc:VMNISWKTOHUZQN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:138452 ;
dbo:casNumber "5324-68-5" ;
dbo:formula "C9H9Cl3" ;
dbo:inchi "InChI=1S/C9H9Cl3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3" ;
dbo:iupacName "1,3,5-Trichloro-2,4,6-trimethylbenzene"@en ;
dbo:pubchem "138452"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl" ;
dbp:inchikey "VMNISWKTOHUZQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TCl246TC1" ;
skos:prefLabel "1,3,5-trichloor-2,4,6-trimethylbenzeen"@nl .
csc:USBWBBAUWVUJLA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:85725 ;
dbo:casNumber "14367-46-5" ;
dbo:formula "C12H19NO" ;
dbo:inchi "InChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3" ;
dbo:iupacName "N-ethyl-1-(4-methoxyphenyl)propan-2-amine"@en ;
dbo:pubchem "85725"^^xsd:int ;
dbo:smiles "CCNC(C)CC1=CC=C(C=C1)OC" ;
dbp:inchikey "USBWBBAUWVUJLA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mebvrnAm" ;
skos:prefLabel "mebeverine amine"@nl .
csc:SNAJJYBUNRAGEF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:22833317 ;
dbo:casNumber "24800-44-0" ;
dbo:formula "C9H20O4" ;
dbo:inchi "InChI=1S/C9H20O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7-11H,4-6H2,1-3H3" ;
dbo:iupacName "1-[1-(1-hydroxypropoxy)propan-2-yloxy]propan-1-ol"@en ;
dbo:pubchem "22833317"^^xsd:int ;
dbo:smiles "CCC(O)OCC(C)OC(CC)O" ;
dbp:inchikey "SNAJJYBUNRAGEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001092 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC3yegcl" ;
skos:prefLabel "tripropyleenglycol"@nl .
csc:OJZGCEDLMNSDNY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:171178 ;
dbo:casNumber "77108-21-5" , "9044-18-2" , "54538-29-3" , "137331-90-9" , "9063-27-8" , "55500-89-5" , "25776-41-4" , "11119-96-3" , "65455-14-3" , "60454-51-5" , "9041-10-5" , "85113-87-7" , "52625-13-5" , "109224-17-1" , "37324-91-7" ;
dbo:formula "C24H50O12" ;
dbo:inchi "InChI=1S/C24H50O12/c25-7-1-13-31-19-21(33-15-3-9-27)23(35-17-5-11-29)24(36-18-6-12-30)22(34-16-4-10-28)20-32-14-2-8-26/h21-30H,1-20H2" ;
dbo:iupacName "3-[1,2,4,5,6-pentakis(3-hydroxypropoxy)hexan-3-yloxy]propan-1-ol"@en ;
dbo:pubchem "171178"^^xsd:int ;
dbo:smiles "C(CO)COCC(C(C(C(COCCCO)OCCCO)OCCCO)OCCCO)OCCCO" ;
dbp:inchikey "OJZGCEDLMNSDNY-UHFFFAOYSA-N" ;
skos:altLabel "D-glucitol, gepropoxyleerd"@nl ;
skos:broader csc:CHEMONTID_0001540 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dgluctgprop" ;
skos:prefLabel "d-glucitol, gepropoxyleerd"@nl .
csc:DFZSBQYOXAUYCB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:96177 ;
dbo:casNumber "6629-29-4" ;
dbo:formula "C7H9N3O2" ;
dbo:inchi "InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3" ;
dbo:iupacName "4-methyl-5-nitrobenzene-1,3-diamine"@en ;
dbo:pubchem "96177"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1[N+](=O)[O-])N)N" ;
dbp:inchikey "DFZSBQYOXAUYCB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DAo6NO2Tol" ;
skos:prefLabel "2,4-diamino-6-nitrotolueen"@nl .
csc:HSMVPDGQOIQYSR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91699 ;
dbo:casNumber "99387-89-0" , "68694-11-1" ;
dbo:formula "C15H15ClF3N3O" ;
dbo:inchi "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" ;
dbo:iupacName "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine"@en ;
dbo:pubchem "91699"^^xsd:int ;
dbo:smiles "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" ;
dbp:inchikey "HSMVPDGQOIQYSR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfmzl" ;
skos:prefLabel "triflumizool"@nl .
csc:FFWSICBKRCICMR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8034 ;
dbo:casNumber "110-12-3" ;
dbo:formula "C7H14O" ;
dbo:inchi "InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3" ;
dbo:iupacName "5-Methylhexan-2-one"@en ;
dbo:pubchem "8034"^^xsd:int ;
dbo:smiles "CC(C)CCC(=O)C" ;
dbp:inchikey "FFWSICBKRCICMR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1y2C6on" ;
skos:prefLabel "5-methyl-2-hexanon"@nl .
csc:OXFUXNFMHFCELM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:68188 ;
dbo:casNumber "513-02-0" ;
dbo:formula "C9H21O4P" ;
dbo:inchi "InChI=1S/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3" ;
dbo:iupacName "['tripropan-2-yl phosphate', 'hydroxy-tri(propan-2-yloxy)phosphanium']"@en ;
dbo:pubchem "68188"^^xsd:int ;
dbo:smiles "CC(C)OP(=O)(OC(C)C)OC(C)C" ;
dbp:inchikey "OXFUXNFMHFCELM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TiC3yPO4" ;
skos:prefLabel "triisopropylfosfaat"@nl .
csc:IGLNJRXAVVLDKE-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335499 ;
dbo:casNumber "14932-53-7" ;
dbo:formula "Rb" ;
dbo:inchi "InChI=1S/Rb/i1+1" ;
dbo:iupacName "rubidium-86"@en ;
dbo:pubchem "6335499"^^xsd:int ;
dbo:smiles "[Rb]" ;
dbp:inchikey "IGLNJRXAVVLDKE-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Rb86" ;
skos:prefLabel "rubidium 86"@nl .
csc:HEDRZPFGACZZDS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'trichloormethaan'"@nl , ", (syn: trichloormethaan)"@nl ;
rdfs:seeAlso compound:6212 ;
dbo:casNumber "8013-54-5" , "67-66-3" ;
dbo:formula "CHCl3" ;
dbo:inchi "InChI=1S/CHCl3/c2-1(3)4/h1H" ;
dbo:iupacName "Chloroform"@en ;
dbo:pubchem "6212"^^xsd:int ;
dbo:smiles "C(Cl)(Cl)Cl" ;
dbp:inchikey "HEDRZPFGACZZDS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_002 ;
skos:altLabel "trichloormethaan (chloroform)"@nl , "chloroform"@nl ;
skos:broader csc:CHEMONTID_0004160 ;
skos:exactMatch wise:CAS_67-66-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClC1a" ;
skos:prefLabel "trichloormethaan"@nl ;
vcs:vmmParameterId "388"^^xsd:int .
csc:RGVYUPIYFIVQDS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:117809 ;
dbo:casNumber "26172-55-4" , "26530-03-0" , "116680-96-7" ;
dbo:formula "C4H5Cl2NOS" ;
dbo:inchi "InChI=1S/C4H4ClNOS.ClH/c1-6-4(7)2-3(5)8-6;/h2H,1H3;1H" ;
dbo:iupacName "5-chloro-2-methyl-1,2-thiazol-3-one hydrochloride"@en ;
dbo:pubchem "117809"^^xsd:int ;
dbo:smiles "CN1C(=O)C=C(S1)Cl.Cl" ;
dbp:inchikey "RGVYUPIYFIVQDS-UHFFFAOYSA-N" ;
skos:altLabel "5-chloor-2-methyl-2h-isothiazool-3-on"@nl ;
skos:broader csc:CHEMONTID_0001030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5Cl2C1y2Hita" ;
skos:prefLabel "5-chloor-2-methyl-2H-isothiazool-3-on"@nl .
csc:QIRNGVVZBINFMX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15624 ;
dbo:casNumber "26761-75-1" , "1745-81-9" ;
dbo:formula "C9H10O" ;
dbo:inchi "InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2" ;
dbo:iupacName "2-prop-2-enylphenol"@en ;
dbo:pubchem "15624"^^xsd:int ;
dbo:smiles "C=CCC1=CC=CC=C1O" ;
dbp:inchikey "QIRNGVVZBINFMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oallFol" ;
skos:prefLabel "o-allylfenol"@nl .
csc:MMOXZBCLCQITDF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4284 ;
dbo:casNumber "94271-03-1" , "134-62-3" ;
dbo:formula "C12H17NO" ;
dbo:inchi "InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3" ;
dbo:iupacName "N,N-Diethyl-3-methylbenzamide"@en ;
dbo:pubchem "4284"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C1=CC=CC(=C1)C" ;
dbp:inchikey "MMOXZBCLCQITDF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004223 ;
skos:exactMatch wise:CAS_134-62-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DEET" ;
skos:prefLabel "diethyltoluamide"@nl ;
vcs:vmmParameterId "1018"^^xsd:int .
csc:GUTLYIVDDKVIGB-OUBTZVSYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61492 ;
dbo:casNumber "10198-40-0" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co/i1+1" ;
dbo:iupacName "cobalt-60"@en ;
dbo:pubchem "61492"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "GUTLYIVDDKVIGB-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co60" ;
skos:prefLabel "kobalt 60"@nl .
csc:WARIWGPBHKPYON-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18055 ;
dbo:casNumber "2941-55-1" ;
dbo:formula "C7H15NOS" ;
dbo:inchi "InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3" ;
dbo:iupacName "S-ethyl diethylaminomethanethioate"@en ;
dbo:pubchem "18055"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)SCC" ;
dbp:inchikey "WARIWGPBHKPYON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etolt" ;
skos:prefLabel "ethiolaat"@nl .
csc:OYEHPCDNVJXUIW-NOHWODKXSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:105138 ;
dbo:casNumber "15411-93-5" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu/i1-7" ;
dbo:iupacName "plutonium-237"@en ;
dbo:pubchem "105138"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "OYEHPCDNVJXUIW-NOHWODKXSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu237" ;
skos:prefLabel "plutonium 237"@nl .
csc:BVMGLUHWZZEDRX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:294707 ;
dbo:casNumber "55429-84-0" ;
dbo:formula "C34H70" ;
dbo:inchi "InChI=1S/C34H70/c1-4-7-10-13-16-19-20-21-24-27-30-33-34(31-28-25-22-17-14-11-8-5-2)32-29-26-23-18-15-12-9-6-3/h34H,4-33H2,1-3H3" ;
dbo:iupacName "11-decyltetracosane"@en ;
dbo:pubchem "294707"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCC" ;
dbp:inchikey "BVMGLUHWZZEDRX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11C10yC24a" ;
skos:prefLabel "11-decyltetracosaan"@nl .
csc:WQLVFSAGQJTQCK-VKROHFNGSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:99474 ;
dbo:casNumber "512-04-9" ;
dbo:formula "C27H42O3" ;
dbo:inchi "InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol"@en ;
dbo:pubchem "99474"^^xsd:int ;
dbo:smiles "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1" ;
dbp:inchikey "WQLVFSAGQJTQCK-VKROHFNGSA-N" ;
skos:broader csc:CHEMONTID_0001553 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "diognn" ;
skos:prefLabel "diosgenin"@nl .
csc:JPMIIZHYYWMHDT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33528 ;
dbo:casNumber "12673-72-2" , "53028-82-3" , "122667-23-6" , "26530-20-1" ;
dbo:formula "C11H19NOS" ;
dbo:inchi "InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3" ;
dbo:iupacName "2-octyl-1,2-thiazol-3-one"@en ;
dbo:pubchem "33528"^^xsd:int ;
dbo:smiles "CCCCCCCCN1C(=O)C=CS1" ;
dbp:inchikey "JPMIIZHYYWMHDT-UHFFFAOYSA-N" ;
skos:altLabel "2-octyl-2H-isothiazool-3-on"@nl ;
skos:broader csc:CHEMONTID_0000095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C8y2Hitaz3o" ;
skos:prefLabel "2-octyl-2h-isothiazool-3-on"@nl .
csc:NHLUYCJZUXOUBX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29075 ;
dbo:casNumber "18435-45-5" , "27400-77-7" ;
dbo:formula "C19H38" ;
dbo:inchi "InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3" ;
dbo:iupacName "Nonadec-1-ene"@en ;
dbo:pubchem "29075"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC=C" ;
dbp:inchikey "NHLUYCJZUXOUBX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C19e" ;
skos:prefLabel "1-nonadeceen"@nl .
csc:NJVHCUNZAMFQNA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8664 ;
dbo:casNumber "21255-91-4" , "148-97-0" , "135-20-6" , "7564-70-7" ;
dbo:formula "C6H9N3O2" ;
dbo:inchi "InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3" ;
dbo:iupacName "azane; N-hydroxy-N-phenylnitrous amide"@en ;
dbo:pubchem "8664"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N(N=O)O.N" ;
dbp:inchikey "NJVHCUNZAMFQNA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000113 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cupfrn" ;
skos:prefLabel "cupferron"@nl .
csc:ZSLUVFAKFWKJRC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23960 ;
dbo:casNumber "7440-29-1" , "24738-30-5" , "15117-56-3" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th" ;
dbo:iupacName "THORIUM"@en ;
dbo:pubchem "23960"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "ZSLUVFAKFWKJRC-UHFFFAOYSA-N" ;
skos:altLabel "thorium 232"@nl ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th232" , "Th" ;
skos:prefLabel "thorium"@nl .
csc:ORQBXQOJMQIAOY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24822 ;
dbo:casNumber "10028-14-5" ;
dbo:formula "No" ;
dbo:inchi "InChI=1S/No" ;
dbo:iupacName "NOBELIUM"@en ;
dbo:pubchem "24822"^^xsd:int ;
dbo:smiles "[No]" ;
dbp:inchikey "ORQBXQOJMQIAOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "No" ;
skos:prefLabel "nobelium"@nl .
csc:LKPLKUMXSAEKID-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6720 ;
dbo:casNumber "56573-57-0" , "39378-26-2" , "55353-34-9" , "82-68-8" ;
dbo:formula "C6Cl5NO2" ;
dbo:inchi "InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-nitrobenzene"@en ;
dbo:pubchem "6720"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "LKPLKUMXSAEKID-UHFFFAOYSA-N" ;
skos:altLabel "pentachloornitrobenzeen"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_82-68-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClNO2Ben" ;
skos:prefLabel "pentachloornitrobenzeen (quintozeen)"@nl ;
vcs:vmmParameterId "260"^^xsd:int .
csc:XLROVYAPLOFLNU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23945 ;
dbo:casNumber "7440-13-3" ;
dbo:formula "Pa" ;
dbo:inchi "InChI=1S/Pa" ;
dbo:iupacName "PROTACTINIUM"@en ;
dbo:pubchem "23945"^^xsd:int ;
dbo:smiles "[Pa]" ;
dbp:inchikey "XLROVYAPLOFLNU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pa" ;
skos:prefLabel "protactinium"@nl .
csc:LLHKCFNBLRBOGN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7946 ;
dbo:casNumber "108-65-6" , "142300-82-1" ;
dbo:formula "C6H12O3" ;
dbo:inchi "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" ;
dbo:iupacName "1-methoxypropan-2-yl acetate"@en ;
dbo:pubchem "7946"^^xsd:int ;
dbo:smiles "CC(COC)OC(=O)C" ;
dbp:inchikey "LLHKCFNBLRBOGN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PGMEA" ;
skos:prefLabel "propyleenglycolmonomethyletheracetaat"@nl .
csc:MAHPNPYYQAIOJN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86355 ;
dbo:casNumber "120162-55-2" ;
dbo:formula "C13H16N10O5S" ;
dbo:inchi "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" ;
dbo:iupacName "3-(4,6-dimethoxypyrimidin-2-yl)-1-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea"@en ;
dbo:pubchem "86355"^^xsd:int ;
dbo:smiles "CN1C(=C(C=N1)C2=NN(N=N2)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" ;
dbp:inchikey "MAHPNPYYQAIOJN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azsfrn" ;
skos:prefLabel "azimsulfuron"@nl .
csc:HZEBHPIOVYHPMT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328143 ;
dbo:casNumber "56797-55-8" , "7440-08-6" ;
dbo:formula "Po" ;
dbo:inchi "InChI=1S/Po" ;
dbo:iupacName "POLONIUM"@en ;
dbo:pubchem "6328143"^^xsd:int ;
dbo:smiles "[Po]" ;
dbp:inchikey "HZEBHPIOVYHPMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Po" ;
skos:prefLabel "polonium"@nl .
csc:GVYLCNUFSHDAAW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16945 ;
dbo:casNumber "12707-43-6" , "2385-85-5" , "12557-88-9" , "56449-78-6" , "20594-49-4" , "12766-04-0" ;
dbo:formula "C10Cl12" ;
dbo:inchi "InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18" ;
dbo:iupacName "1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane"@en ;
dbo:pubchem "16945"^^xsd:int ;
dbo:smiles "C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "GVYLCNUFSHDAAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001549 ;
skos:exactMatch wise:CAS_2385-85-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mirx" ;
skos:prefLabel "mirex"@nl ;
vcs:vmmParameterId "957"^^xsd:int .
csc:JQVDAXLFBXTEQA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8148 ;
dbo:casNumber "111-92-2" , "71230-78-9" ;
dbo:formula "C8H19N" ;
dbo:inchi "InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3" ;
dbo:iupacName "N-butylbutan-1-amine"@en ;
dbo:pubchem "8148"^^xsd:int ;
dbo:smiles "CCCCNCCCC" ;
dbp:inchikey "JQVDAXLFBXTEQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4yAe" ;
skos:prefLabel "dibutylamine"@nl .
csc:YGJHZCLPZAZIHH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13542 ;
dbo:casNumber "924-16-3" ;
dbo:formula "C8H18N2O" ;
dbo:inchi "InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3" ;
dbo:iupacName "N,N-dibutylnitrous amide"@en ;
dbo:pubchem "13542"^^xsd:int ;
dbo:smiles "CCCCN(CCCC)N=O" ;
dbp:inchikey "YGJHZCLPZAZIHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4yNOAe" ;
skos:prefLabel "dibutylnitrosamine"@nl .
csc:VNGOYPQMJFJDLV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15088 ;
dbo:casNumber "1459-93-4" ;
dbo:formula "C10H10O4" ;
dbo:inchi "InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3" ;
dbo:iupacName "dimethyl benzene-1,3-dicarboxylate"@en ;
dbo:pubchem "15088"^^xsd:int ;
dbo:smiles "COC(=O)C1=CC(=CC=C1)C(=O)OC" ;
dbp:inchikey "VNGOYPQMJFJDLV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yiFt" ;
skos:prefLabel "dimethylisoftalaat"@nl .
csc:ATROHALUCMTWTB-WYMLVPIESA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9570290 ;
dbo:casNumber "14816-18-3" ;
dbo:formula "C12H15N2O3PS" ;
dbo:inchi "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+" ;
dbo:iupacName "N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide"@en ;
dbo:pubchem "9570290"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1" ;
dbp:inchikey "ATROHALUCMTWTB-WYMLVPIESA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_14816-18-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fOxm" ;
skos:prefLabel "foxim"@nl ;
vcs:vmmParameterId "400"^^xsd:int .
csc:RBSXHDIPCIWOMG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86426 ;
dbo:casNumber "141776-32-1" ;
dbo:formula "C16H18N6O7S2" ;
dbo:inchi "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" ;
dbo:iupacName "3-(4,6-dimethoxypyrimidin-2-yl)-1-(2-ethylsulfonylimidazo[3,2-a]pyridin-3-yl)sulfonylurea"@en ;
dbo:pubchem "86426"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" ;
dbp:inchikey "RBSXHDIPCIWOMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfsfrn" ;
skos:prefLabel "sulfosulfuron"@nl .
csc:OIGNJSKKLXVSLS-VWUMJDOOSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5755 ;
dbo:casNumber "50-24-8" , "58201-11-9" , "8056-11-9" ;
dbo:formula "C21H28O5" ;
dbo:inchi "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "5755"^^xsd:int ;
dbo:smiles "CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O" ;
dbp:inchikey "OIGNJSKKLXVSLS-VWUMJDOOSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prednsln" ;
skos:prefLabel "prednisolon"@nl .
csc:JJWLVOIRVHMVIS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6363 ;
dbo:casNumber "85404-24-6" , "75-31-0" ;
dbo:formula "C3H9N" ;
dbo:inchi "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" ;
dbo:iupacName "propan-2-amine"@en ;
dbo:pubchem "6363"^^xsd:int ;
dbo:smiles "CC(C)N" ;
dbp:inchikey "JJWLVOIRVHMVIS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yAe" ;
skos:prefLabel "Isopropylamine"@nl .
csc:PIICEJLVQHRZGT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3301 ;
dbo:casNumber "460-19-5" , "15808-32-9" , "27308-78-7" , "8030-24-8" , "107-15-3" , "85404-18-8" , "68845-05-6" , "211750-61-7" , "2074-87-5" ;
dbo:formula "C2H8N2" ;
dbo:inchi "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" ;
dbo:iupacName "['ethane-1,2-diamine', 'ethyne-1,2-diamine', 'Oxalonitrile']"@en ;
dbo:pubchem "3301"^^xsd:int ;
dbo:smiles "C(CN)N" ;
dbp:inchikey "PIICEJLVQHRZGT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yeDAe" ;
skos:prefLabel "ethyleendiamine"@nl .
csc:ZEUITGRIYCTCEM-KRWDZBQOSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:60835 ;
dbo:casNumber "116539-59-4" ;
dbo:formula "C18H19NOS" ;
dbo:inchi "InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1" ;
dbo:iupacName "(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine"@en ;
dbo:pubchem "60835"^^xsd:int ;
dbo:smiles "CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32" ;
dbp:inchikey "ZEUITGRIYCTCEM-KRWDZBQOSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dulxtne" ;
skos:prefLabel "duloxetine"@nl .
csc:AJRJPORIQGYFMT-PVOVUMCXSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5378015 ;
dbo:casNumber "57195-65-0" , "30223-73-5" ;
dbo:formula "C20H23N" ;
dbo:inchi "InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4-" ;
dbo:iupacName "(2Z)-2-ethylidene-1,5-dimethyl-3,3-di(phenyl)pyrrolidine"@en ;
dbo:pubchem "5378015"^^xsd:int ;
dbo:smiles "CC=C1C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "AJRJPORIQGYFMT-PVOVUMCXSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yid15DC1y" ;
skos:prefLabel "2-ethylidene-1,5-dimethyl-3,3-difenylpyrrolidine"@nl .
csc:YSRVJVDFHZYRPA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:73919 ;
dbo:casNumber "1502-47-2" ;
dbo:formula "C6H6N10" ;
dbo:inchi "InChI=1S/C6H6N10/c7-1-10-4-12-2(8)14-6-15-3(9)13-5(11-1)16(4)6/h(H6,7,8,9,10,11,12,13,14,15)" ;
dbo:iupacName "11-imino-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,7,9-pentaene-3,7-diamine"@en ;
dbo:pubchem "73919"^^xsd:int ;
dbo:smiles "C1(=NC2=NC(=N)N=C3N2C(=NC(=N3)N)N1)N" ;
dbp:inchikey "YSRVJVDFHZYRPA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001693 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "melm" ;
skos:prefLabel "melem"@nl .
csc:GTZCKTIZOGTWQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23047 ;
dbo:casNumber "6552-13-2" ;
dbo:formula "C10H15O5PS" ;
dbo:inchi "InChI=1S/C10H15O5PS/c1-8-7-9(5-6-10(8)17(4)12)15-16(11,13-2)14-3/h5-7H,1-4H3" ;
dbo:iupacName "dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate"@en ;
dbo:pubchem "23047"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)C" ;
dbp:inchikey "GTZCKTIZOGTWQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004632 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentoOosfOxd" ;
skos:prefLabel "fenthion-oxon-sulfoxide"@nl .
csc:PXMNMQRDXWABCY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:86102 ;
dbo:casNumber "80443-41-0" , "107534-96-3" ;
dbo:formula "C16H22ClN3O" ;
dbo:inchi "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" ;
dbo:iupacName "1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol"@en ;
dbo:pubchem "86102"^^xsd:int ;
dbo:smiles "CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O" ;
dbp:inchikey "PXMNMQRDXWABCY-UHFFFAOYSA-N" ;
skos:altLabel "tebuconazole"@nl ;
skos:broader csc:CHEMONTID_0000014 ;
skos:exactMatch wise:CAS_107534-96-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebcnzl" ;
skos:prefLabel "tebuconazol"@nl ;
vcs:vmmParameterId "1234"^^xsd:int .
csc:SBASXUCJHJRPEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8134 ;
dbo:casNumber "111-77-3" ;
dbo:formula "C5H12O3" ;
dbo:inchi "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" ;
dbo:iupacName "2-(2-Methoxyethoxy)ethanol"@en ;
dbo:pubchem "8134"^^xsd:int ;
dbo:smiles "COCCOCCO" ;
dbp:inchikey "SBASXUCJHJRPEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C1oxC2oxC2" ;
skos:prefLabel "2-(2-methoxyethoxy)ethanol"@nl .
csc:XAGFODPZIPBFFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5359268 ;
dbo:casNumber "91728-14-2" , "7429-90-5" , "80341-19-1" , "113962-66-6" , "12766-45-9" , "39332-62-2" , "37202-64-5" , "182260-45-3" , "39302-71-1" ;
dbo:formula "Al" ;
dbo:inchi "InChI=1S/Al" ;
dbo:iupacName "ALUMINUM"@en ;
dbo:pubchem "5359268"^^xsd:int ;
dbo:smiles "[Al]" ;
dbp:inchikey "XAGFODPZIPBFFR-UHFFFAOYSA-N" ;
skos:altLabel "aluminium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000427 ;
skos:exactMatch wise:CAS_7429-90-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Al" ;
skos:prefLabel "aluminium"@nl ;
vcs:vmmParameterId "131"^^xsd:int , "129"^^xsd:int , "1986"^^xsd:int , "130"^^xsd:int , "128"^^xsd:int .
csc:BQCADISMDOOEFD-AKLPVKDBSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:161148 ;
dbo:casNumber "15760-04-0" ;
dbo:formula "Ag" ;
dbo:inchi "InChI=1S/Ag/i1+3" ;
dbo:iupacName "silver-111"@en ;
dbo:pubchem "161148"^^xsd:int ;
dbo:smiles "[Ag]" ;
dbp:inchikey "BQCADISMDOOEFD-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ag111" ;
skos:prefLabel "zilver 111"@nl .
csc:YZHUMGUJCQRKBT-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24487 ;
dbo:casNumber "7775-09-9" , "11096-45-0" , "9011-70-5" , "38869-73-7" , "38869-74-8" ;
dbo:formula "ClNaO3" ;
dbo:inchi "InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1" ;
dbo:iupacName "Sodium chlorate"@en ;
dbo:pubchem "24487"^^xsd:int ;
dbo:smiles "[O-]Cl(=O)=O.[Na+]" ;
dbp:inchikey "YZHUMGUJCQRKBT-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000632 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaClO3" ;
skos:prefLabel "natriumchloraat"@nl .
csc:LGQLOGILCSXPEA-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24586 ;
dbo:casNumber "139939-67-6" , "7786-81-4" ;
dbo:formula "NiO4S" ;
dbo:inchi "InChI=1S/Ni.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ;
dbo:iupacName "nickel(+2) cation sulfate"@en ;
dbo:pubchem "24586"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Ni+2]" ;
dbp:inchikey "LGQLOGILCSXPEA-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000858 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NiSO4" ;
skos:prefLabel "nikkelsulfaat"@nl .
csc:RDJTWDKSYLLHRW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17776 ;
dbo:casNumber "2813-95-8" ;
dbo:formula "C12H14N2O6" ;
dbo:inchi "InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3" ;
dbo:iupacName "(2-butan-2-yl-4,6-dinitrophenyl) acetate"@en ;
dbo:pubchem "17776"^^xsd:int ;
dbo:smiles "CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C" ;
dbp:inchikey "RDJTWDKSYLLHRW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dnsactt" ;
skos:prefLabel "dinoseb-acetaat"@nl .
csc:SVTBMSDMJJWYQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7870 ;
dbo:casNumber "99113-75-4" , "107-41-5" ;
dbo:formula "C6H14O2" ;
dbo:inchi "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3" ;
dbo:iupacName "2-Methylpentane-2,4-diol"@en ;
dbo:pubchem "7870"^^xsd:int ;
dbo:smiles "CC(CC(C)(C)O)O" ;
dbp:inchikey "SVTBMSDMJJWYQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6yegcl" ;
skos:prefLabel "hexyleen glycol"@nl .
csc:WYEHFWKAOXOVJD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91735 ;
dbo:casNumber "83164-33-4" ;
dbo:formula "C19H11F5N2O2" ;
dbo:inchi "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" ;
dbo:iupacName "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide"@en ;
dbo:pubchem "91735"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" ;
dbp:inchikey "WYEHFWKAOXOVJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004712 ;
skos:exactMatch wise:CAS_83164-33-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dffncn" ;
skos:prefLabel "diflufenican"@nl ;
vcs:vmmParameterId "1020"^^xsd:int .
csc:LGMLJQFQKXPRGA-VPVMAENOSA-K
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:55466 ;
dbo:casNumber "86050-77-3" , "80529-93-7" ;
dbo:formula "C28H54GdN5O20" ;
dbo:inchi "InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1" ;
dbo:iupacName "2-[bis[2-[carboxymethyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol"@en ;
dbo:pubchem "55466"^^xsd:int ;
dbo:smiles "CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3]" ;
dbp:inchikey "LGMLJQFQKXPRGA-VPVMAENOSA-K" ;
skos:broader csc:CHEMONTID_0002995 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gadpttnzr" ;
skos:prefLabel "gadopentetinezuur"@nl .
csc:FFYTTYVSDVWNMY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12760 ;
dbo:casNumber "88054-22-2" , "696-23-1" , "100215-29-0" ;
dbo:formula "C4H5N3O2" ;
dbo:inchi "InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)" ;
dbo:iupacName "2-methyl-4-nitro-3H-imidazole"@en ;
dbo:pubchem "12760"^^xsd:int ;
dbo:smiles "CC1=NC=C(N1)[N+](=O)[O-]" ;
dbp:inchikey "FFYTTYVSDVWNMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000242 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y5NO2imdz" ;
skos:prefLabel "2-methyl-5-nitroimidazool"@nl .
csc:ZSZFUDFOPOMEET-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:456389 ;
dbo:casNumber "101831-37-2" ;
dbo:formula "C17H9Cl3N4O2" ;
dbo:inchi "InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)" ;
dbo:iupacName "2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile"@en ;
dbo:pubchem "456389"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl" ;
dbp:inchikey "ZSZFUDFOPOMEET-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001527 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "diczrl" ;
skos:prefLabel "diclazuril"@nl .
csc:BYLSIPUARIZAHZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86688 ;
dbo:casNumber "18254-13-2" ;
dbo:formula "C30H30O" ;
dbo:inchi "InChI=1S/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(31)29(20-27)23(3)26-17-11-6-12-18-26/h4-23,31H,1-3H3" ;
dbo:iupacName "2,4,6-Tris(1-phenylethyl)phenol"@en ;
dbo:pubchem "86688"^^xsd:int ;
dbo:smiles "CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)C3=CC=CC=C3)O)C(C)C4=CC=CC=C4" ;
dbp:inchikey "BYLSIPUARIZAHZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002651 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246T1FyC2yFo" ;
skos:prefLabel "2,4,6-tris(1-fenylethyl)fenol"@nl .
csc:HPSCXFOQUFPEPE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66770 ;
dbo:casNumber "95-81-8" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3" ;
dbo:iupacName "2-Chloro-5-methylaniline"@en ;
dbo:pubchem "66770"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)Cl)N" ;
dbp:inchikey "HPSCXFOQUFPEPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl5C1yAn" ;
skos:prefLabel "2-chloor-5-methylaniline"@nl .
csc:QTDRLOKFLJJHTG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:43359 ;
dbo:casNumber "60568-05-0" ;
dbo:formula "C14H21NO3" ;
dbo:inchi "InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3" ;
dbo:iupacName "N-cyclohexyl-N-methoxy-2,5-dimethylfuran-3-carboxamide"@en ;
dbo:pubchem "43359"^^xsd:int ;
dbo:smiles "CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC" ;
dbp:inchikey "QTDRLOKFLJJHTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004759 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "furmccx" ;
skos:prefLabel "furmecyclox"@nl .
csc:XQTLDIFVVHJORV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8330 ;
dbo:casNumber "28804-67-3" , "117-18-0" ;
dbo:formula "C6HCl4NO2" ;
dbo:inchi "InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H" ;
dbo:iupacName "1,2,4,5-Tetrachloro-3-nitrobenzene"@en ;
dbo:pubchem "8330"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl" ;
dbp:inchikey "XQTLDIFVVHJORV-UHFFFAOYSA-N" ;
skos:altLabel "2,3,5,6-tetrachloornitrobenzeen"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tecnzn" ;
skos:prefLabel "tecnazeen"@nl .
csc:WCIBKXHMIXUQHK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:40474 ;
dbo:casNumber "52663-67-9" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-5(10(17)6(14)2-4)9-11(18)7(15)3-8(16)12(9)19/h1-3H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,3,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40474"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "WCIBKXHMIXUQHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB178" ;
skos:prefLabel "2,2',3,3',5,5',6-heptachloorbifenyl"@nl .
csc:PIEXCQIOSMOEOU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61828 ;
dbo:casNumber "16079-88-2" ;
dbo:formula "C5H6BrClN2O2" ;
dbo:inchi "InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3" ;
dbo:iupacName "1-BROMO-3-CHLORO-5,5-DIMETHYLIMIDAZOLIDINE-2,4-DIONE"@en ;
dbo:pubchem "61828"^^xsd:int ;
dbo:smiles "CC1(C(=O)N(C(=O)N1Br)Cl)C" ;
dbp:inchikey "PIEXCQIOSMOEOU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002273 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BCDMH" ;
skos:prefLabel "1-broom-3-chloor-5,5-dimethylhidanto\uFFFDne"@nl .
csc:RTCOGUMHFFWOJV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:73281 ;
dbo:casNumber "111991-09-4" ;
dbo:formula "C15H18N6O6S" ;
dbo:inchi "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" ;
dbo:iupacName "2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide"@en ;
dbo:pubchem "73281"^^xsd:int ;
dbo:smiles "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" ;
dbp:inchikey "RTCOGUMHFFWOJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nicsfrn" ;
skos:prefLabel "nicosulfuron"@nl .
csc:IXKVYSRDIVLASR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:121608 ;
dbo:casNumber "29988-16-7" ;
dbo:formula "C22H38O" ;
dbo:inchi "InChI=1S/C22H38O/c1-3-5-7-9-11-13-16-20-17-15-19-22(23)21(20)18-14-12-10-8-6-4-2/h15,17,19,23H,3-14,16,18H2,1-2H3" ;
dbo:iupacName "2,3-dioctylphenol"@en ;
dbo:pubchem "121608"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCC" ;
dbp:inchikey "IXKVYSRDIVLASR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC8yFol" ;
skos:prefLabel "2,3-dioctylfenol"@nl .
csc:WURGXGVFSMYFCG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14145 ;
dbo:casNumber "1085-98-9" , "90416-56-1" , "12698-56-5" , "56590-61-5" , "79235-99-7" ;
dbo:formula "C9H11Cl2FN2O2S2" ;
dbo:inchi "InChI=1S/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3" ;
dbo:iupacName "N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)aniline"@en ;
dbo:pubchem "14145"^^xsd:int ;
dbo:smiles "CN(C)S(=O)(=O)N(C1=CC=CC=C1)SC(F)(Cl)Cl" ;
dbp:inchikey "WURGXGVFSMYFCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcfande" ;
skos:prefLabel "dichlofluanide"@nl .
csc:YTRMTPPVNRALON-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8593 ;
dbo:casNumber "132-60-5" ;
dbo:formula "C16H11NO2" ;
dbo:inchi "InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)" ;
dbo:iupacName "2-Phenylquinoline-4-carboxylic acid"@en ;
dbo:pubchem "8593"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O" ;
dbp:inchikey "YTRMTPPVNRALON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002348 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cincfn" ;
skos:prefLabel "cinchofen"@nl .
csc:FXRXQYZZALWWGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:63110 ;
dbo:casNumber "52663-58-8" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)11-9(14)5-6-10(15)12(11)16/h1-6H" ;
dbo:iupacName "1,2,4-trichloro-3-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "63110"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "FXRXQYZZALWWGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB64" ;
skos:prefLabel "2,3,4',6-tetrachloorbifenyl"@nl .
csc:WMYVHJWZUUEZNE-ARWFNKCKSA-J
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9562061 ;
dbo:casNumber "72-57-1" , "179472-55-0" ;
dbo:formula "C34H24N6Na4O14S4" ;
dbo:inchi "InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-31+,40-32+;;;;" ;
dbo:iupacName "tetrasodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate"@en ;
dbo:pubchem "9562061"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-])C)NN=C5C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]" ;
dbp:inchikey "WMYVHJWZUUEZNE-ARWFNKCKSA-J" ;
skos:altLabel "C.I. Direct Blue 14"@nl ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cidbe14" ;
skos:prefLabel "c.i. direct blue 14"@nl .
csc:WIDHRBRBACOVOY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:36188 ;
dbo:casNumber "32598-14-4" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H" ;
dbo:iupacName "1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "36188"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "WIDHRBRBACOVOY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,3',4,4'-pentachloorbifenyl (pcb105)"@nl , "2,3,3',4,4'-pentachloorbifenyl"@nl , "pcb 105"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_32598-14-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB105" ;
skos:prefLabel "PCB 105"@nl ;
vcs:vmmParameterId "1369"^^xsd:int .
csc:SSDSCDGVMJFTEQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16386 ;
dbo:casNumber "109265-64-7" , "156511-59-0" , "69093-37-4" , "80693-11-4" , "2082-79-3" , "119764-08-8" ;
dbo:formula "C35H62O3" ;
dbo:inchi "InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3" ;
dbo:iupacName "octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate"@en ;
dbo:pubchem "16386"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C" ;
dbp:inchikey "SSDSCDGVMJFTEQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001722 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18y335DttC4" ;
skos:prefLabel "octadecyl 3-(3,5-di-tert-butyl-4-hydroxyfenyl)propanoaat"@nl .
csc:HGQSXVKHVMGQRG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27681 ;
dbo:casNumber "15231-44-4" , "94410-05-6" ;
dbo:formula "C16H34Sn" ;
dbo:inchi "InChI=1S/2C8H17.Sn/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;" ;
dbo:iupacName "dioctyltin"@en ;
dbo:pubchem "27681"^^xsd:int ;
dbo:smiles "CCCCCCCC[Sn]CCCCCCCC" ;
dbp:inchikey "HGQSXVKHVMGQRG-UHFFFAOYSA-N" ;
skos:altLabel "dioctyltin (kation)"@nl ;
skos:broader csc:CHEMONTID_0001524 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC8ySn" ;
skos:prefLabel "dioctyltin"@nl .
csc:BFCFYVKQTRLZHA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6945 ;
dbo:casNumber "25167-93-5" , "88-73-3" ;
dbo:formula "C6H4ClNO2" ;
dbo:inchi "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" ;
dbo:iupacName "1-Chloro-2-nitrobenzene"@en ;
dbo:pubchem "6945"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)[N+](=O)[O-])Cl" ;
dbp:inchikey "BFCFYVKQTRLZHA-UHFFFAOYSA-N" ;
skos:altLabel "1-chloor-2-nitrobenzeen"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_88-73-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClNO2Ben" , "1Cl2NO2Ben" ;
skos:prefLabel "chloornitrobenzeen"@nl ;
vcs:vmmParameterId "331"^^xsd:int .
csc:XPDWGBQVDMORPB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6373 ;
dbo:casNumber "185009-29-4" , "75-46-7" ;
dbo:formula "CHF3" ;
dbo:inchi "InChI=1S/CHF3/c2-1(3)4/h1H" ;
dbo:iupacName "Fluoroform"@en ;
dbo:pubchem "6373"^^xsd:int ;
dbo:smiles "C(F)(F)F" ;
dbp:inchikey "XPDWGBQVDMORPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HFK23" ;
skos:prefLabel "trifluormethaan"@nl .
csc:LMQJBFRGXHMNOX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38013 ;
dbo:casNumber "38380-01-7" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-7(9(14)3-6)8-4-11(16)12(17)5-10(8)15/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "38013"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "LMQJBFRGXHMNOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB99" ;
skos:prefLabel "2,2',4,4',5-pentachloorbifenyl"@nl .
csc:XEGGRYVFLWGFHI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2314 ;
dbo:casNumber "22781-23-3" ;
dbo:formula "C11H13NO4" ;
dbo:inchi "InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)" ;
dbo:iupacName "(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate"@en ;
dbo:pubchem "2314"^^xsd:int ;
dbo:smiles "CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C" ;
dbp:inchikey "XEGGRYVFLWGFHI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benDocb" ;
skos:prefLabel "bendiocarb"@nl .
csc:PLDWAJLZAAHOGG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16971 ;
dbo:casNumber "2398-37-0" ;
dbo:formula "C7H7BrO" ;
dbo:inchi "InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3" ;
dbo:iupacName "1-Bromo-3-methoxybenzene"@en ;
dbo:pubchem "16971"^^xsd:int ;
dbo:smiles "COC1=CC(=CC=C1)Br" ;
dbp:inchikey "PLDWAJLZAAHOGG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Bransl" ;
skos:prefLabel "3-broomanisol"@nl .
csc:LLYXJBROWQDVMI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8491 ;
dbo:casNumber "121-86-8" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3" ;
dbo:iupacName "2-Chloro-1-methyl-4-nitrobenzene"@en ;
dbo:pubchem "8491"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)[N+](=O)[O-])Cl" ;
dbp:inchikey "LLYXJBROWQDVMI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_121-86-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl4NO2Tol" ;
skos:prefLabel "2-chloor-4-nitrotolueen"@nl ;
vcs:vmmParameterId "772"^^xsd:int .
csc:VLCYCUFDXXZIOY-ZFGAUFRASA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:165669 ;
dbo:casNumber "8030-53-3" ;
dbo:formula "C38H46O10" ;
dbo:inchi "InChI=1S/C19H24O5.C19H22O5/c2*1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22);5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t2*10-,11+,12-,13+,14+,17+,18-,19+/m00/s1" ;
dbo:iupacName "(1R,2R,5S,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid;(1R,2R,5S,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid"@en ;
dbo:pubchem "165669"^^xsd:int ;
dbo:smiles "CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O.CC12C(C=CC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O" ;
dbp:inchikey "VLCYCUFDXXZIOY-ZFGAUFRASA-N" ;
skos:broader csc:CHEMONTID_0004013 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gebbrlne" ;
skos:prefLabel "gibberelline"@nl .
csc:IMIDOCRTMDIQIJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16247 ;
dbo:casNumber "2032-59-9" ;
dbo:formula "C11H16N2O2" ;
dbo:inchi "InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)" ;
dbo:iupacName "(4-dimethylamino-3-methylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "16247"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OC(=O)NC)N(C)C" ;
dbp:inchikey "IMIDOCRTMDIQIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Aocb" ;
skos:prefLabel "aminocarb"@nl .
csc:UWEZBKLLMKVIPI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9492 ;
dbo:casNumber "329-71-5" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H" ;
dbo:iupacName "['5-(dihydroxyamino)-2-nitrophenol', '2-(dihydroxyamino)-5-nitrophenol', '2,5-DINITROPHENOL']"@en ;
dbo:pubchem "9492"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]" ;
dbp:inchikey "UWEZBKLLMKVIPI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DNO2Fol" ;
skos:prefLabel "2,5-dinitrofenol"@nl .
csc:LTPSRQRIPCVMKQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6934 ;
dbo:casNumber "88-44-8" ;
dbo:formula "C7H9NO3S" ;
dbo:inchi "InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)" ;
dbo:iupacName "2-Amino-5-methylbenzenesulfonic acid"@en ;
dbo:pubchem "6934"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N)S(=O)(=O)O" ;
dbp:inchikey "LTPSRQRIPCVMKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao5C1yBensf" ;
skos:prefLabel "2-amino-5-methylbenzeensulfonzuur"@nl .
csc:CFVWNXQPGQOHRJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7819 ;
dbo:casNumber "106-63-8" ;
dbo:formula "C7H12O2" ;
dbo:inchi "InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3" ;
dbo:iupacName "2-methylpropyl prop-2-enoate"@en ;
dbo:pubchem "7819"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C=C" ;
dbp:inchikey "CFVWNXQPGQOHRJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yaclt" ;
skos:prefLabel "isobutylacrylaat"@nl .
csc:ZYHMJXZULPZUED-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4936 ;
dbo:casNumber "60098-53-5" , "2312-35-8" ;
dbo:formula "C19H26O4S" ;
dbo:inchi "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3" ;
dbo:iupacName "[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite"@en ;
dbo:pubchem "4936"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C" ;
dbp:inchikey "ZYHMJXZULPZUED-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propgt" ;
skos:prefLabel "propargiet"@nl .
csc:BDFAOUQQXJIZDG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10558 ;
dbo:casNumber "513-44-0" ;
dbo:formula "C4H10S" ;
dbo:inchi "InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3" ;
dbo:iupacName "2-Methylpropane-1-thiol"@en ;
dbo:pubchem "10558"^^xsd:int ;
dbo:smiles "CC(C)CS" ;
dbp:inchikey "BDFAOUQQXJIZDG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y1C3atol" ;
skos:prefLabel "2-methyl-1-propaanthiol"@nl .
csc:LCZUOKDVTBMCMX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31252 ;
dbo:casNumber "123-32-0" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3" ;
dbo:iupacName "2,5-Dimethylpyrazine"@en ;
dbo:pubchem "31252"^^xsd:int ;
dbo:smiles "CC1=CN=C(C=N1)C" ;
dbp:inchikey "LCZUOKDVTBMCMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000067 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1yprzne" ;
skos:prefLabel "2,5-dimethylpyrazine"@nl .
csc:LRHPLDYGYMQRHN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:263 ;
dbo:casNumber "42031-19-6" , "71-36-3" , "220713-25-7" , "14254-05-8" , "107569-51-7" , "35296-72-1" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" ;
dbo:iupacName "Butan-1-ol"@en ;
dbo:pubchem "263"^^xsd:int ;
dbo:smiles "CCCCO" ;
dbp:inchikey "LRHPLDYGYMQRHN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_000 , co:LUC_IV_009 ;
skos:altLabel "n-butanol"@nl ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4ol" ;
skos:prefLabel "butanol"@nl .
csc:RJWUMFHQJJBBOD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15265 ;
dbo:casNumber "1560-89-0" ;
dbo:formula "C18H38" ;
dbo:inchi "InChI=1S/C18H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3" ;
dbo:iupacName "2-METHYLHEPTADECANE"@en ;
dbo:pubchem "15265"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC(C)C" ;
dbp:inchikey "RJWUMFHQJJBBOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC17a" ;
skos:prefLabel "2-methylheptadecaan"@nl .
csc:NPWMZOGDXOFZIN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20105 ;
dbo:casNumber "4147-51-7" ;
dbo:formula "C11H21N5S" ;
dbo:inchi "InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "6-ethylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "20105"^^xsd:int ;
dbo:smiles "CCSC1=NC(=NC(=N1)NC(C)C)NC(C)C" ;
dbp:inchikey "NPWMZOGDXOFZIN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004637 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dprtn" ;
skos:prefLabel "dipropetryn"@nl .
csc:BKVIYDNLLOSFOA-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6337071 ;
dbo:casNumber "15720-57-7" ;
dbo:formula "Tl" ;
dbo:inchi "InChI=1S/Tl/i1-2" ;
dbo:iupacName "thallium-202"@en ;
dbo:pubchem "6337071"^^xsd:int ;
dbo:smiles "[Tl]" ;
dbp:inchikey "BKVIYDNLLOSFOA-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tl202" ;
skos:prefLabel "thallium 202"@nl .
csc:ITVQAKZNYJEWKS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33500 ;
dbo:casNumber "26399-36-0" , "52002-14-9" , "12676-46-9" , "11096-25-6" ;
dbo:formula "C14H16F3N3O4" ;
dbo:inchi "InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3" ;
dbo:iupacName "N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline"@en ;
dbo:pubchem "33500"^^xsd:int ;
dbo:smiles "CCCN(CC1CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" ;
dbp:inchikey "ITVQAKZNYJEWKS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "profrlne" ;
skos:prefLabel "profluraline"@nl .
csc:SYJFEGQWDCRVNX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6795 ;
dbo:casNumber "2764-72-9" ;
dbo:formula "C12H12N2+2" ;
dbo:inchi "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" ;
dbo:iupacName "7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene"@en ;
dbo:pubchem "6795"^^xsd:int ;
dbo:smiles "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" ;
dbp:inchikey "SYJFEGQWDCRVNX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001764 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dqt" ;
skos:prefLabel "diquat"@nl .
csc:SIEILFNCEFEENQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12433 ;
dbo:casNumber "631-64-1" ;
dbo:formula "C2H2Br2O2" ;
dbo:inchi "InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)" ;
dbo:iupacName "2,2-dibromoacetic acid"@en ;
dbo:pubchem "12433"^^xsd:int ;
dbo:smiles "C(C(=O)O)(Br)Br" ;
dbp:inchikey "SIEILFNCEFEENQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBrHAc" ;
skos:prefLabel "dibroomazijnzuur"@nl .
csc:IIBYAHWJQTYFKB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39042 ;
dbo:casNumber "41859-67-0" ;
dbo:formula "C19H20ClNO4" ;
dbo:inchi "InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)" ;
dbo:iupacName "2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid"@en ;
dbo:pubchem "39042"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "IIBYAHWJQTYFKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:exactMatch wise:CAS_41859-67-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bezafbt" ;
skos:prefLabel "bezafibraat"@nl ;
vcs:vmmParameterId "1395"^^xsd:int .
csc:ICNFHJVPAJKPHW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8765 ;
dbo:casNumber "139-65-1" ;
dbo:formula "C12H12N2S" ;
dbo:inchi "InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2" ;
dbo:iupacName "4-(4-aminophenyl)sulfanylaniline"@en ;
dbo:pubchem "8765"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)SC2=CC=C(C=C2)N" ;
dbp:inchikey "ICNFHJVPAJKPHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44thiobBenAe" ;
skos:prefLabel "4,4'-thiobisbenzeenamine"@nl .
csc:OEJNXTAZZBRGDN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5284469 ;
dbo:casNumber "8001-35-2" ;
dbo:formula "C10H8Cl8" ;
dbo:inchi "InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2" ;
dbo:iupacName "1,2,3,4,7,7-hexachloro-6,6-bis(chloromethyl)-5-methylidenebicyclo[2.2.1]heptane"@en ;
dbo:pubchem "5284469"^^xsd:int ;
dbo:smiles "C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl" ;
dbp:inchikey "OEJNXTAZZBRGDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:exactMatch wise:CAS_8001-35-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "toxafn" ;
skos:prefLabel "toxafeen"@nl ;
vcs:vmmParameterId "267"^^xsd:int .
csc:XPJVKCRENWUEJH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:20240 ;
dbo:casNumber "4247-02-3" ;
dbo:formula "C11H14O3" ;
dbo:inchi "InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3" ;
dbo:iupacName "2-Methylpropyl 4-hydroxybenzoate"@en ;
dbo:pubchem "20240"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C1=CC=C(C=C1)O" ;
dbp:inchikey "XPJVKCRENWUEJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yprbn" ;
skos:prefLabel "isobutylparabeen"@nl .
csc:ZONYAPYTDIVJGG-VLGSPTGOSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5858445 ;
dbo:casNumber "104407-03-6" , "842-07-9" ;
dbo:formula "C16H12N2O" ;
dbo:inchi "InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,17H/b18-16-" ;
dbo:iupacName "['1-(phenylhydrazinylidene)naphthalen-2-one', '(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one']"@en ;
dbo:pubchem "5858445"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32" ;
dbp:inchikey "ZONYAPYTDIVJGG-VLGSPTGOSA-N" ;
skos:altLabel "c.i. solvent yellow 14"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cisyw14" ;
skos:prefLabel "C.I. Solvent Yellow 14"@nl .
csc:QHOQHJPRIBSPCY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:34526 ;
dbo:casNumber "29232-93-7" ;
dbo:formula "C11H20N3O3PS" ;
dbo:inchi "InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" ;
dbo:iupacName "4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine"@en ;
dbo:pubchem "34526"^^xsd:int ;
dbo:smiles "CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C" ;
dbp:inchikey "QHOQHJPRIBSPCY-UHFFFAOYSA-N" ;
skos:altLabel "pirimiphos-methyl"@nl , "pirimifos-methyl"@nl ;
skos:broader csc:CHEMONTID_0004771 ;
skos:exactMatch wise:CAS_29232-93-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yprmfs" ;
skos:prefLabel "methylpirimifos"@nl ;
vcs:vmmParameterId "678"^^xsd:int .
csc:VSCUCHUDCLERMY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17586 ;
dbo:casNumber "2679-87-0" , "19316-73-5" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3" ;
dbo:iupacName "2-ETHOXYBUTANE"@en ;
dbo:pubchem "17586"^^xsd:int ;
dbo:smiles "CCC(C)OCC" ;
dbp:inchikey "VSCUCHUDCLERMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2oxC4a" ;
skos:prefLabel "2-ethoxybutaan"@nl .
csc:XESZUVZBAMCAEJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7381 ;
dbo:casNumber "98-29-3" ;
dbo:formula "C10H14O2" ;
dbo:inchi "InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3" ;
dbo:iupacName "4-tert-butylbenzene-1,2-diol"@en ;
dbo:pubchem "7381"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)O)O" ;
dbp:inchikey "XESZUVZBAMCAEJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC4yprctcl" ;
skos:prefLabel "4-tert-butylpyrocatechol"@nl .
csc:HDGQICNBXPAKLR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11511 ;
dbo:casNumber "90622-56-3" , "589-43-5" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3" ;
dbo:iupacName "2,4-Dimethylhexane"@en ;
dbo:pubchem "11511"^^xsd:int ;
dbo:smiles "CCC(C)CC(C)C" ;
dbp:inchikey "HDGQICNBXPAKLR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yC6a" ;
skos:prefLabel "2,4-dimethylhexaan"@nl .
csc:XNNQFQFUQLJSQT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6383 ;
dbo:casNumber "75-62-7" ;
dbo:formula "CBrCl3" ;
dbo:inchi "InChI=1S/CBrCl3/c2-1(3,4)5" ;
dbo:iupacName "bromo-trichloromethane"@en ;
dbo:pubchem "6383"^^xsd:int ;
dbo:smiles "C(Cl)(Cl)(Cl)Br" ;
dbp:inchikey "XNNQFQFUQLJSQT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrTClC1a" ;
skos:prefLabel "broomtrichloormethaan"@nl .
csc:XSNQECSCDATQEL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:29096 ;
dbo:casNumber "18479-58-8" , "25279-08-7" ;
dbo:formula "C10H20O" ;
dbo:inchi "InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3" ;
dbo:iupacName "2,6-Dimethyloct-7-en-2-ol"@en ;
dbo:pubchem "29096"^^xsd:int ;
dbo:smiles "CC(CCCC(C)(C)O)C=C" ;
dbp:inchikey "XSNQECSCDATQEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHmcnl" ;
skos:prefLabel "dihydromyrcenol"@nl .
csc:XOPFESVZMSQIKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:73282 ;
dbo:casNumber "135100-29-7" , "82097-50-5" ;
dbo:formula "C14H16ClN5O5S" ;
dbo:inchi "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" ;
dbo:iupacName "1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea"@en ;
dbo:pubchem "73282"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" ;
dbp:inchikey "XOPFESVZMSQIKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tasfrn" ;
skos:prefLabel "triasulfuron"@nl .
csc:PZOUSPYUWWUPPK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:85282 ;
dbo:casNumber "16096-32-5" ;
dbo:formula "C9H9N" ;
dbo:inchi "InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3" ;
dbo:iupacName "4-methyl-1H-indole"@en ;
dbo:pubchem "85282"^^xsd:int ;
dbo:smiles "CC1=C2C=CNC2=CC=C1" ;
dbp:inchikey "PZOUSPYUWWUPPK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yidl" ;
skos:prefLabel "4-methylindol"@nl .
csc:YKFRAOGHWKADFJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8809 ;
dbo:casNumber "140-57-8" ;
dbo:formula "C15H23ClO4S" ;
dbo:inchi "InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3" ;
dbo:iupacName "1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl sulfite"@en ;
dbo:pubchem "8809"^^xsd:int ;
dbo:smiles "CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl" ;
dbp:inchikey "YKFRAOGHWKADFJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "armt" ;
skos:prefLabel "aramit"@nl .
csc:XLROVYAPLOFLNU-IGMARMGPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:105147 ;
dbo:casNumber "14331-85-2" ;
dbo:formula "Pa" ;
dbo:inchi "InChI=1S/Pa/i1+0" ;
dbo:iupacName "protactinium-231"@en ;
dbo:pubchem "105147"^^xsd:int ;
dbo:smiles "[Pa]" ;
dbp:inchikey "XLROVYAPLOFLNU-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pa231" ;
skos:prefLabel "protactinium 231"@nl .
csc:NGAZZOYFWWSOGK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7802 ;
dbo:casNumber "106-35-4" ;
dbo:formula "C7H14O" ;
dbo:inchi "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" ;
dbo:iupacName "Heptan-3-one"@en ;
dbo:pubchem "7802"^^xsd:int ;
dbo:smiles "CCCCC(=O)CC" ;
dbp:inchikey "NGAZZOYFWWSOGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C7on" ;
skos:prefLabel "3-heptanon"@nl .
csc:FAGUFWYHJQFNRV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8197 ;
dbo:casNumber "112-57-2" , "115254-44-9" ;
dbo:formula "C8H23N5" ;
dbo:inchi "InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2" ;
dbo:iupacName "N'-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine"@en ;
dbo:pubchem "8197"^^xsd:int ;
dbo:smiles "C(CNCCNCCNCCN)N" ;
dbp:inchikey "FAGUFWYHJQFNRV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C2yePeAe" ;
skos:prefLabel "tetraethyleenpentamine"@nl .
csc:OBTWBSRJZRCYQV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17607 ;
dbo:casNumber "2699-79-8" ;
dbo:formula "F2O2S" ;
dbo:inchi "InChI=1S/F2O2S/c1-5(2,3)4" ;
dbo:iupacName "Sulfuryl difluoride"@en ;
dbo:pubchem "17607"^^xsd:int ;
dbo:smiles "O=S(=O)(F)F" ;
dbp:inchikey "OBTWBSRJZRCYQV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfrF" ;
skos:prefLabel "sulfurylfluoride"@nl .
csc:DCKVNWZUADLDEH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7758 ;
dbo:casNumber "116698-48-7" , "105-46-4" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" ;
dbo:iupacName "butan-2-yl acetate"@en ;
dbo:pubchem "7758"^^xsd:int ;
dbo:smiles "CCC(C)OC(=O)C" ;
dbp:inchikey "DCKVNWZUADLDEH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "secC4yactt" ;
skos:prefLabel "sec-butylacetaat"@nl .
csc:ZFXYFBGIUFBOJW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2153 ;
dbo:casNumber "75448-53-2" , "56645-32-0" , "46157-00-0" , "58-55-9" ;
dbo:formula "C7H8N4O2" ;
dbo:inchi "InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)" ;
dbo:iupacName "1,3-dimethyl-7H-purine-2,6-dione"@en ;
dbo:pubchem "2153"^^xsd:int ;
dbo:smiles "CN1C2=C(C(=O)N(C1=O)C)NC=N2" ;
dbp:inchikey "ZFXYFBGIUFBOJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "theoplne" ;
skos:prefLabel "theophylline"@nl .
csc:QHGVXILFMXYDRS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93460 ;
dbo:casNumber "77458-01-6" , "89784-60-1" ;
dbo:formula "C14H18ClN2O3PS" ;
dbo:inchi "InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3" ;
dbo:iupacName "1-(4-chlorophenyl)-4-(ethoxy-propylsulfanylphosphoryl)oxypyrazole"@en ;
dbo:pubchem "93460"^^xsd:int ;
dbo:smiles "CCCSP(=O)(OCC)OC1=CN(N=C1)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "QHGVXILFMXYDRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrcfs" ;
skos:prefLabel "pyraclofos"@nl .
csc:NURQLCJSMXZBPC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11417 ;
dbo:casNumber "583-58-4" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3" ;
dbo:iupacName "3,4-Dimethylpyridine"@en ;
dbo:pubchem "11417"^^xsd:int ;
dbo:smiles "CC1=C(C=NC=C1)C" ;
dbp:inchikey "NURQLCJSMXZBPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yprdne" ;
skos:prefLabel "3,4-dimethylpyridine"@nl .
csc:OHPZPBNDOVQJMH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6637 ;
dbo:casNumber "825629-31-0" , "8047-99-2" , "80-39-7" ;
dbo:formula "C9H13NO2S" ;
dbo:inchi "InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3" ;
dbo:iupacName "N-Ethyl-4-methylbenzenesulfonamide"@en ;
dbo:pubchem "6637"^^xsd:int ;
dbo:smiles "CCNS(=O)(=O)C1=CC=C(C=C1)C" ;
dbp:inchikey "OHPZPBNDOVQJMH-UHFFFAOYSA-N" ;
skos:altLabel "n-ethyl-4-methylbenzeensulfonamide"@nl ;
skos:broader csc:CHEMONTID_0004517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC2y4C1yBens" ;
skos:prefLabel "N-ethyl-4-methylbenzeensulfonamide"@nl .
csc:CKBRQZNRCSJHFT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23913 ;
dbo:casNumber "7429-92-7" ;
dbo:formula "Es" ;
dbo:inchi "InChI=1S/Es" ;
dbo:iupacName "EINSTEINIUM"@en ;
dbo:pubchem "23913"^^xsd:int ;
dbo:smiles "[Es]" ;
dbp:inchikey "CKBRQZNRCSJHFT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Es" ;
skos:prefLabel "einsteinium"@nl .
csc:KJTLSVCANCCWHF-BKFZFHPZSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26359 ;
dbo:casNumber "13967-48-1" ;
dbo:formula "Ru" ;
dbo:inchi "InChI=1S/Ru/i1+5" ;
dbo:iupacName "ruthenium-106"@en ;
dbo:pubchem "26359"^^xsd:int ;
dbo:smiles "[Ru]" ;
dbp:inchikey "KJTLSVCANCCWHF-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ru106" ;
skos:prefLabel "ruthenium 106"@nl .
csc:YHRUOJUYPBUZOS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8881 ;
dbo:casNumber "142-28-9" ;
dbo:formula "C3H6Cl2" ;
dbo:inchi "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" ;
dbo:iupacName "1,3-Dichloropropane"@en ;
dbo:pubchem "8881"^^xsd:int ;
dbo:smiles "C(CCl)CCl" ;
dbp:inchikey "YHRUOJUYPBUZOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_142-28-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DClC3a" ;
skos:prefLabel "1,3-dichloorpropaan"@nl ;
vcs:vmmParameterId "325"^^xsd:int .
csc:BOFHKBLZOYVHSI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9300 ;
dbo:casNumber "299-86-5" ;
dbo:formula "C12H19ClNO3P" ;
dbo:inchi "InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)" ;
dbo:iupacName "N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine"@en ;
dbo:pubchem "9300"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl" ;
dbp:inchikey "BOFHKBLZOYVHSI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "crfmt" ;
skos:prefLabel "crufomaat"@nl .
csc:RSMUVYRMZCOLBH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:52999 ;
dbo:casNumber "74223-64-6" , "82197-07-7" ;
dbo:formula "C14H15N5O6S" ;
dbo:inchi "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" ;
dbo:iupacName "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate"@en ;
dbo:pubchem "52999"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" ;
dbp:inchikey "RSMUVYRMZCOLBH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1ymsfrn" ;
skos:prefLabel "methyl-metsulfuron"@nl .
csc:ZUHZGEOKBKGPSW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8925 ;
dbo:casNumber "70992-84-6" , "143-24-8" ;
dbo:formula "C10H22O5" ;
dbo:inchi "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" ;
dbo:iupacName "1-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethane"@en ;
dbo:pubchem "8925"^^xsd:int ;
dbo:smiles "COCCOCCOCCOCCOC" ;
dbp:inchikey "ZUHZGEOKBKGPSW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TEGDME" ;
skos:prefLabel "tetraethyleenglycoldimethylether"@nl .
csc:UREACWLAXSOUKG-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66943 ;
dbo:casNumber "107-26-6" ;
dbo:formula "C2H5BrHg" ;
dbo:inchi "InChI=1S/C2H5.BrH.Hg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1" ;
dbo:iupacName "bromo-ethylmercury"@en ;
dbo:pubchem "66943"^^xsd:int ;
dbo:smiles "CC[Hg]Br" ;
dbp:inchikey "UREACWLAXSOUKG-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004442 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yHgBr" ;
skos:prefLabel "ethylkwikbromide"@nl .
csc:YGULWPYYGQCFMP-CEAXSRTFSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:441308 ;
dbo:casNumber "71307-49-8" , "55250-54-9" , "60168-92-5" , "74220-04-5" , "56392-17-7" ;
dbo:formula "C34H56N2O12" ;
dbo:inchi "InChI=1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1" ;
dbo:iupacName "(2R,3R)-2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "441308"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O" ;
dbp:inchikey "YGULWPYYGQCFMP-CEAXSRTFSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "metoprololtartraat"@nl .
csc:WJGPNUBJBMCRQH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15278 ;
dbo:casNumber "1563-38-8" ;
dbo:formula "C10H12O2" ;
dbo:inchi "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" ;
dbo:iupacName "2,2-dimethyl-3H-1-benzofuran-7-ol"@en ;
dbo:pubchem "15278"^^xsd:int ;
dbo:smiles "CC1(CC2=C(O1)C(=CC=C2)O)C" ;
dbp:inchikey "WJGPNUBJBMCRQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbfrFol" ;
skos:prefLabel "carbofuran-fenol"@nl .
csc:BSKHPKMHTQYZBB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7975 ;
dbo:casNumber "82005-07-0" , "109-06-8" , "45505-34-8" , "52962-96-6" ;
dbo:formula "C6H7N" ;
dbo:inchi "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" ;
dbo:iupacName "2-Methylpyridine"@en ;
dbo:pubchem "7975"^^xsd:int ;
dbo:smiles "CC1=CC=CC=N1" ;
dbp:inchikey "BSKHPKMHTQYZBB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yprdne" ;
skos:prefLabel "2-methylpyridine"@nl .
csc:UOHMMEJUHBCKEE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10263 ;
dbo:casNumber "488-23-3" , "25619-60-7" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3" ;
dbo:iupacName "1,2,3,4-TETRAMETHYLBENZENE"@en ;
dbo:pubchem "10263"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C=C1)C)C)C" ;
dbp:inchikey "UOHMMEJUHBCKEE-UHFFFAOYSA-N" ;
skos:altLabel "1,2,3,4-tetramethylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1234T4C1yBen" , "T4C1yBen" ;
skos:prefLabel "tetramethylbenzeen"@nl .
csc:JCXGWMGPZLAOME-OUBTZVSYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6328547 ;
dbo:casNumber "14331-79-4" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1+1" ;
dbo:iupacName "bismuth-210"@en ;
dbo:pubchem "6328547"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "JCXGWMGPZLAOME-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi210" ;
skos:prefLabel "bismuth 210"@nl .
csc:PRGQOPPDPVELEG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:83852 ;
dbo:casNumber "35079-97-1" ;
dbo:formula "C15H14N2O3" ;
dbo:inchi "InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)" ;
dbo:iupacName "5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "83852"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O" ;
dbp:inchikey "PRGQOPPDPVELEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1011cDolcarb" ;
skos:prefLabel "10,11-cisdiol carbamazepine"@nl .
csc:KSEZPRJUTHMFGZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6930 ;
dbo:casNumber "1401-76-9" , "88-29-9" ;
dbo:formula "C18H26O" ;
dbo:inchi "InChI=1S/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3" ;
dbo:iupacName "1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone"@en ;
dbo:pubchem "6930"^^xsd:int ;
dbo:smiles "CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C" ;
dbp:inchikey "KSEZPRJUTHMFGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "verslde" ;
skos:prefLabel "versalide"@nl .
csc:HKOIXWVRNLGFOR-YANNOFPNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5359402 ;
dbo:casNumber "467-15-2" ;
dbo:formula "C17H19NO3" ;
dbo:inchi "InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10?,11-,12?,16?,17+/m1/s1" ;
dbo:iupacName "(4R,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol"@en ;
dbo:pubchem "5359402"^^xsd:int ;
dbo:smiles "COC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(C=C5)O)C=C1" ;
dbp:inchikey "HKOIXWVRNLGFOR-YANNOFPNSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norcdine" ;
skos:prefLabel "norcode\uFFFDne"@nl .
csc:FFCCBBNQPIMUJI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:54744 ;
dbo:casNumber "81405-85-8" , "153703-73-2" , "69969-22-8" ;
dbo:formula "C16H20N2O3" ;
dbo:inchi "InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)" ;
dbo:iupacName "methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate"@en ;
dbo:pubchem "54744"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C(=O)OC)C2=NC(C(=O)N2)(C)C(C)C" ;
dbp:inchikey "FFCCBBNQPIMUJI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imzmtbzC1y" ;
skos:prefLabel "imazamethabenz-methyl"@nl .
csc:WZJZMXBKUWKXTQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24743 ;
dbo:casNumber "13684-56-5" ;
dbo:formula "C16H16N2O4" ;
dbo:inchi "InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)" ;
dbo:iupacName "[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate"@en ;
dbo:pubchem "24743"^^xsd:int ;
dbo:smiles "CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2" ;
dbp:inchikey "WZJZMXBKUWKXTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desmdfm" ;
skos:prefLabel "desmedifam"@nl .
csc:RDYMFSUJUZBWLH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3224 ;
dbo:casNumber "115-29-7" , "8003-45-0" , "6994-04-3" ;
dbo:formula "C9H6Cl6O3S" ;
dbo:inchi "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2" ;
dbo:iupacName "1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide"@en ;
dbo:pubchem "3224"^^xsd:int ;
dbo:smiles "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "RDYMFSUJUZBWLH-UHFFFAOYSA-N" ;
skos:altLabel "?-endosulfan"@nl , "endosulfan (som alfa- en beta-isomeer)"@nl ;
skos:broader csc:CHEMONTID_0002074 ;
skos:exactMatch wise:CAS_115-29-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endsfn" ;
skos:prefLabel "alfa+beta endosulfan"@nl ;
vcs:vmmParameterId "1204"^^xsd:int .
csc:KJDRSWPQXHESDQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8059 ;
dbo:casNumber "51104-87-1" , "110-56-5" ;
dbo:formula "C4H8Cl2" ;
dbo:inchi "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" ;
dbo:iupacName "['1,4-dichlorobuta-1,3-diyne', '1,4-Dichlorobutane']"@en ;
dbo:pubchem "8059"^^xsd:int ;
dbo:smiles "C(CCCl)CCl" ;
dbp:inchikey "KJDRSWPQXHESDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DClC4a" ;
skos:prefLabel "1,4-dichloorbutaan"@nl .
csc:FPCCDPXRNNVUOM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:249494 ;
dbo:casNumber "107-74-4" ;
dbo:formula "C10H22O2" ;
dbo:inchi "InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3" ;
dbo:iupacName "3,7-Dimethyloctane-1,7-diol"@en ;
dbo:pubchem "249494"^^xsd:int ;
dbo:smiles "CC(CCCC(C)(C)O)CCO" ;
dbp:inchikey "FPCCDPXRNNVUOM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "37DC1y17C8aD" ;
skos:prefLabel "3,7-dimethyl-1,7-octaandiol"@nl .
csc:RXZBMPWDPOLZGW-KMAKEOJNSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9567573 ;
dbo:casNumber "80214-83-1" ;
dbo:formula "C41H76N2O15" ;
dbo:inchi "InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23?,24+,25+,26-,27?,28?,29-,30?,32?,33+,34-,35?,36-,38?,39-,40?,41-/m1/s1" ;
dbo:iupacName "(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-(4-dimethylamino-3-hydroxy-6-methyloxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one"@en ;
dbo:pubchem "9567573"^^xsd:int ;
dbo:smiles "CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O" ;
dbp:inchikey "RXZBMPWDPOLZGW-KMAKEOJNSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "roxtmcne" ;
skos:prefLabel "roxitromycine"@nl .
csc:VLCQZHSMCYCDJL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:153909 ;
dbo:casNumber "101200-48-0" ;
dbo:formula "C15H17N5O6S" ;
dbo:inchi "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" ;
dbo:iupacName "methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate"@en ;
dbo:pubchem "153909"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" ;
dbp:inchikey "VLCQZHSMCYCDJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004706 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TbnrC1y" ;
skos:prefLabel "tribenuronmethyl"@nl .
csc:GYKSIQWGEZQNEA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:185342 ;
dbo:casNumber "94410-07-8" ;
dbo:formula "C8H17Sn+3" ;
dbo:inchi "InChI=1S/C8H17.Sn/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;/q;+3" ;
dbo:iupacName "octyltin"@en ;
dbo:pubchem "185342"^^xsd:int ;
dbo:smiles "CCCCCCCC[Sn+3]" ;
dbp:inchikey "GYKSIQWGEZQNEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001523 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC8ySn" ;
skos:prefLabel "monooctyltin (kation)"@nl .
csc:FDZZZRQASAIRJF-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11294 ;
dbo:casNumber "55172-50-4" , "569-64-2" , "10309-95-2" ;
dbo:formula "C23H25ClN2" ;
dbo:inchi "InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "[4-[(4-dimethylaminophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylazanium chloride"@en ;
dbo:pubchem "11294"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-]" ;
dbp:inchikey "FDZZZRQASAIRJF-UHFFFAOYSA-M" ;
skos:altLabel "c.i. basic green 4"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cibgn4" ;
skos:prefLabel "C.I. Basic Green 4"@nl .
csc:NQMRYBIKMRVZLB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11637 ;
dbo:casNumber "135862-86-1" , "593-51-1" , "865-30-5" ;
dbo:formula "CH6ClN" ;
dbo:inchi "InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H" ;
dbo:iupacName "methylazanium chloride"@en ;
dbo:pubchem "11637"^^xsd:int ;
dbo:smiles "C[NH3+].[Cl-]" ;
dbp:inchikey "NQMRYBIKMRVZLB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yAeHCl" ;
skos:prefLabel "methylamine hydrochloride"@nl .
csc:RHUYHJGZWVXEHW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5976 ;
dbo:casNumber "88733-28-2" , "57-14-7" ;
dbo:formula "C2H8N2" ;
dbo:inchi "InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3" ;
dbo:iupacName "1,1-Dimethylhydrazine"@en ;
dbo:pubchem "5976"^^xsd:int ;
dbo:smiles "CN(C)N" ;
dbp:inchikey "RHUYHJGZWVXEHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004511 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DC1yhdzne" ;
skos:prefLabel "1,1-dimethylhydrazine"@nl .
csc:CYXIKYKBLDZZNW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6408 ;
dbo:casNumber "75-88-7" ;
dbo:formula "C2H2ClF3" ;
dbo:inchi "InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2" ;
dbo:iupacName "2-Chloro-1,1,1-trifluoroethane"@en ;
dbo:pubchem "6408"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)Cl" ;
dbp:inchikey "CYXIKYKBLDZZNW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK133a" ;
skos:prefLabel "2-chloor-1,1,1-trifluorethaan"@nl .
csc:WDFQBORIUYODSI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7807 ;
dbo:casNumber "106-40-1" , "55777-84-9" ;
dbo:formula "C6H6BrN" ;
dbo:inchi "InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" ;
dbo:iupacName "4-Bromoaniline"@en ;
dbo:pubchem "7807"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)Br" ;
dbp:inchikey "WDFQBORIUYODSI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4BrAn" ;
skos:prefLabel "4-broomaniline"@nl .
csc:IITCWRFYJWUUPC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8693 ;
dbo:casNumber "136-45-8" , "114308-72-4" ;
dbo:formula "C13H17NO4" ;
dbo:inchi "InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" ;
dbo:iupacName "DIPROPYL PYRIDINE-2,5-DICARBOXYLATE"@en ;
dbo:pubchem "8693"^^xsd:int ;
dbo:smiles "CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC" ;
dbp:inchikey "IITCWRFYJWUUPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002414 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC3yiccmrnt" ;
skos:prefLabel "dipropyl-isocinchomeronaat"@nl .
csc:WXNZYYXXILQTKX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27999 ;
dbo:casNumber "16709-30-1" ;
dbo:formula "C12H13NO4" ;
dbo:inchi "InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)" ;
dbo:iupacName "(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-methylcarbamate"@en ;
dbo:pubchem "27999"^^xsd:int ;
dbo:smiles "CC1(C(=O)C2=C(O1)C(=CC=C2)OC(=O)NC)C" ;
dbp:inchikey "WXNZYYXXILQTKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000301 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ketcbfrn" ;
skos:prefLabel "3-ketocarbofuraan"@nl .
csc:RZKKOBGFCAHLCZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6977 ;
dbo:casNumber "89-61-2" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H" ;
dbo:iupacName "1,4-Dichloro-2-nitrobenzene"@en ;
dbo:pubchem "6977"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl" ;
dbp:inchikey "RZKKOBGFCAHLCZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_89-61-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DClNO2Ben" ;
skos:prefLabel "2,5-dichloornitrobenzeen"@nl ;
vcs:vmmParameterId "775"^^xsd:int .
csc:QXISTPDUYKNPLU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11121 ;
dbo:casNumber "553-94-6" ;
dbo:formula "C8H9Br" ;
dbo:inchi "InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3" ;
dbo:iupacName "2-Bromo-1,4-dimethylbenzene"@en ;
dbo:pubchem "11121"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)Br" ;
dbp:inchikey "QXISTPDUYKNPLU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004211 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Br14DC1yBen" ;
skos:prefLabel "2-broom-1,4-dimethylbenzeen"@nl .
csc:SZYJELPVAFJOGJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11649 ;
dbo:casNumber "593-81-7" ;
dbo:formula "C3H10ClN" ;
dbo:inchi "InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H" ;
dbo:iupacName "N,N-dimethylmethanamine hydrochloride"@en ;
dbo:pubchem "11649"^^xsd:int ;
dbo:smiles "C[NH+](C)C.[Cl-]" ;
dbp:inchikey "SZYJELPVAFJOGJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yNH4Cl" ;
skos:prefLabel "trimethylammoniumchloride"@nl .
csc:BXEHUCNTIZGSOJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91740 ;
dbo:casNumber "85785-20-2" ;
dbo:formula "C15H23NOS" ;
dbo:inchi "InChI=1S/C15H23NOS/c1-5-16(13(4)12(2)3)15(17)18-11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3" ;
dbo:iupacName "S-(phenylmethyl) (ethyl-(3-methylbutan-2-yl)amino)methanethioate"@en ;
dbo:pubchem "91740"^^xsd:int ;
dbo:smiles "CCN(C(C)C(C)C)C(=O)SCC1=CC=CC=C1" ;
dbp:inchikey "BXEHUCNTIZGSOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "espcb" ;
skos:prefLabel "esprocarb"@nl .
csc:SUSRORUBZHMPCO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:39230 ;
dbo:casNumber "42576-02-3" ;
dbo:formula "C14H9Cl2NO5" ;
dbo:inchi "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" ;
dbo:iupacName "Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate"@en ;
dbo:pubchem "39230"^^xsd:int ;
dbo:smiles "COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "SUSRORUBZHMPCO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:exactMatch wise:CAS_42576-02-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bfnx" ;
skos:prefLabel "bifenox"@nl ;
vcs:vmmParameterId "1522"^^xsd:int .
csc:LVNYJXIBJFXIRZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:36028 ;
dbo:casNumber "31972-44-8" ;
dbo:formula "C13H22NO5PS" ;
dbo:inchi "InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)" ;
dbo:iupacName "N-[ethoxy-(3-methyl-4-methylsulfonylphenoxy)phosphoryl]propan-2-amine"@en ;
dbo:pubchem "36028"^^xsd:int ;
dbo:smiles "CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)(=O)C)C" ;
dbp:inchikey "LVNYJXIBJFXIRZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenamfsfn" ;
skos:prefLabel "fenamifos-sulfon"@nl .
csc:BHPQYMZQTOCNFJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:271 ;
dbo:casNumber "17787-72-3" , "14127-61-8" ;
dbo:formula "Ca+2" ;
dbo:inchi "InChI=1S/Ca/q+2" ;
dbo:iupacName "calcium(+2) cation"@en ;
dbo:pubchem "271"^^xsd:int ;
dbo:smiles "[Ca+2]" ;
dbp:inchikey "BHPQYMZQTOCNFJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "calcium, tweewaardig"@nl .
csc:IMEVJVISCHQJRM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:92434 ;
dbo:casNumber "126535-15-7" ;
dbo:formula "C17H19F3N6O6S" ;
dbo:inchi "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" ;
dbo:iupacName "methyl 2-[[4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate"@en ;
dbo:pubchem "92434"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C" ;
dbp:inchikey "IMEVJVISCHQJRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004706 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TfsfrnC1y" ;
skos:prefLabel "triflusulfuron-methyl"@nl .
csc:ONUFESLQCSAYKA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37517 ;
dbo:casNumber "61840-50-4" , "36734-19-7" ;
dbo:formula "C13H13Cl2N3O3" ;
dbo:inchi "InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)" ;
dbo:iupacName "3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide"@en ;
dbo:pubchem "37517"^^xsd:int ;
dbo:smiles "CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl" ;
dbp:inchikey "ONUFESLQCSAYKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ipDon" ;
skos:prefLabel "iprodion"@nl .
csc:MZSJGCPBOVTKHR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14289 ;
dbo:casNumber "1122-82-3" ;
dbo:formula "C7H11NS" ;
dbo:inchi "InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2" ;
dbo:iupacName "ISOTHIOCYANATOCYCLOHEXANE"@en ;
dbo:pubchem "14289"^^xsd:int ;
dbo:smiles "C1CCC(CC1)N=C=S" ;
dbp:inchikey "MZSJGCPBOVTKHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001234 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ccC6yitoCN" ;
skos:prefLabel "cyclohexyl-isothiocyanaat"@nl .
csc:LVDGGZAZAYHXEY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3018355 ;
dbo:casNumber "72629-94-8" ;
dbo:formula "C13HF25O2" ;
dbo:inchi "InChI=1S/C13HF25O2/c14-2(15,1(39)40)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)38/h(H,39,40)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid"@en ;
dbo:pubchem "3018355"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "LVDGGZAZAYHXEY-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-tridecaanzuur (pftrda)"@nl , "perfluortridecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFTDA" , "PFTrDA" ;
skos:prefLabel "perfluortridecaanzuur (pftrda)"@nl .
csc:PXNPSORLYYNBLA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:93439 ;
dbo:casNumber "74381-40-1" ;
dbo:formula "C16H30O4" ;
dbo:inchi "InChI=1S/C16H30O4/c1-10(2)14(17)19-9-12(5)13(16(6,7)8)20-15(18)11(3)4/h10-13H,9H2,1-8H3" ;
dbo:iupacName "[2,4,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] 2-methylpropanoate"@en ;
dbo:pubchem "93439"^^xsd:int ;
dbo:smiles "CC(C)C(=O)OCC(C)C(C(C)(C)C)OC(=O)C(C)C" ;
dbp:inchikey "PXNPSORLYYNBLA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "244TC1yC5a13" ;
skos:prefLabel "2,4,4-trimethylpentaan-1,3-diylbis (2-methylpropanoaat)"@nl .
csc:NPDACUSDTOMAMK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7810 ;
dbo:casNumber "106-43-4" , "3327-51-3" ;
dbo:formula "C7H7Cl" ;
dbo:inchi "InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" ;
dbo:iupacName "1-Chloro-4-methylbenzene"@en ;
dbo:pubchem "7810"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)Cl" ;
dbp:inchikey "NPDACUSDTOMAMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_106-43-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClTol" ;
skos:prefLabel "4-chloortolueen"@nl ;
vcs:vmmParameterId "365"^^xsd:int .
csc:MGOHCFMYLBAPRN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:210326 ;
dbo:casNumber "243973-20-8" ;
dbo:formula "C23H32N2O4" ;
dbo:inchi "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" ;
dbo:iupacName "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[2,1-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate"@en ;
dbo:pubchem "210326"^^xsd:int ;
dbo:smiles "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" ;
dbp:inchikey "MGOHCFMYLBAPRN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pinadn" ;
skos:prefLabel "pinoxaden"@nl .
csc:NBIIXXVUZAFLBC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1004 ;
dbo:casNumber "1339-32-8" , "9043-01-0" , "28602-75-7" , "9066-91-5" , "9044-08-0" , "7664-38-2" , "178560-73-1" ;
dbo:formula "H3O4P" ;
dbo:inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" ;
dbo:iupacName "['Phosphoric acid', 'tetrahydroxyphosphanium']"@en ;
dbo:pubchem "1004"^^xsd:int ;
dbo:smiles "OP(=O)(O)O" ;
dbp:inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001073 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H3PO4" ;
skos:prefLabel "fosforzuur"@nl .
csc:ZENZJGDPWWLORF-MDZDMXLPSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5283381 ;
dbo:casNumber "5090-41-5" ;
dbo:formula "C18H34O" ;
dbo:inchi "InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+" ;
dbo:iupacName "(E)-octadec-9-enal"@en ;
dbo:pubchem "5283381"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCC=O" ;
dbp:inchikey "ZENZJGDPWWLORF-MDZDMXLPSA-N" ;
skos:broader csc:CHEMONTID_0000298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9C18eal" ;
skos:prefLabel "9-octadecenal"@nl .
csc:RRXOSDMYCQSQHB-MRYPCDLHSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282486 ;
dbo:casNumber "57-62-5" , "64-72-2" ;
dbo:formula "C22H24Cl2N2O8" ;
dbo:inchi "InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3;1H/b20-13-;/t7-,8-,15-,21-,22-;/m0./s1" ;
dbo:iupacName "(2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride"@en ;
dbo:pubchem "5282486"^^xsd:int ;
dbo:smiles "CC1(C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)N(C)C)O.Cl" ;
dbp:inchikey "RRXOSDMYCQSQHB-MRYPCDLHSA-N" ;
skos:altLabel "chloortetracycline"@nl ;
skos:broader csc:CHEMONTID_0000181 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClT4ccne" , "ClT4ccnHCl" ;
skos:prefLabel "chloortetracycline hydrochloride"@nl .
csc:ZKGVLNVASIPVAU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:141652 ;
dbo:casNumber "31656-92-5" ;
dbo:formula "C7H7N3" ;
dbo:inchi "InChI=1S/C7H7N3/c1-6-4-2-3-5-7(6)9-10-8/h2-5H,1H3" ;
dbo:iupacName "1-azido-2-methylbenzene"@en ;
dbo:pubchem "141652"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1N=[N+]=[N-]" ;
dbp:inchikey "ZKGVLNVASIPVAU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000399 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1azd2C1yben" ;
skos:prefLabel "1-azido-2-methylbenzeen"@nl .
csc:CWOMTHDOJCARBY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8488 ;
dbo:casNumber "121-72-2" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3" ;
dbo:iupacName "N,N,3-Trimethylaniline"@en ;
dbo:pubchem "8488"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)N(C)C" ;
dbp:inchikey "CWOMTHDOJCARBY-UHFFFAOYSA-N" ;
skos:altLabel "N,N,3-trimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NN3TC1yAn" ;
skos:prefLabel "n,n,3-trimethylaniline"@nl .
csc:HXJUTPCZVOIRIF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31347 ;
dbo:casNumber "208252-54-4" , "126-33-0" ;
dbo:formula "C4H8O2S" ;
dbo:inchi "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" ;
dbo:iupacName "thiolane 1,1-dioxide"@en ;
dbo:pubchem "31347"^^xsd:int ;
dbo:smiles "C1CCS(=O)(=O)C1" ;
dbp:inchikey "HXJUTPCZVOIRIF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4Htof11DO" ;
skos:prefLabel "tetrahydrothiofeen-1,1-dioxide"@nl .
csc:WFKWXMTUELFFGS-OIOBTWANSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:161143 ;
dbo:casNumber "15749-46-9" ;
dbo:formula "W" ;
dbo:inchi "InChI=1S/W/i1-3" ;
dbo:iupacName "tungsten-181"@en ;
dbo:pubchem "161143"^^xsd:int ;
dbo:smiles "[W]" ;
dbp:inchikey "WFKWXMTUELFFGS-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "W181" ;
skos:prefLabel "wolfraam 181"@nl .
csc:ZXFXBSWRVIQKOD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13930 ;
dbo:casNumber "66240-71-9" , "28044-82-8" , "1024-57-3" , "4067-30-5" , "24717-72-4" , "24699-42-1" ;
dbo:formula "C10H5Cl7O" ;
dbo:inchi "InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H" ;
dbo:iupacName "1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene"@en ;
dbo:pubchem "13930"^^xsd:int ;
dbo:smiles "C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "ZXFXBSWRVIQKOD-UHFFFAOYSA-N" ;
skos:altLabel "cis-heptachloorepoxyde"@nl , "cis-heptachloorepoxide"@nl ;
skos:broader csc:CHEMONTID_0002012 ;
skos:exactMatch wise:CAS_1024-57-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cHpClepO" ;
skos:prefLabel "beta-heptachloorepoxide"@nl ;
vcs:vmmParameterId "242"^^xsd:int .
csc:CABMTIJINOIHOD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:54739 ;
dbo:casNumber "81335-37-7" ;
dbo:formula "C17H17N3O3" ;
dbo:inchi "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" ;
dbo:iupacName "2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid"@en ;
dbo:pubchem "54739"^^xsd:int ;
dbo:smiles "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" ;
dbp:inchikey "CABMTIJINOIHOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imzqn" ;
skos:prefLabel "imazaquin"@nl .
csc:JGTNAGYHADQMCM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67815 ;
dbo:casNumber "59933-66-3" , "375-73-5" ;
dbo:formula "C4HF9O3S" ;
dbo:inchi "InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid"@en ;
dbo:pubchem "67815"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F" ;
dbp:inchikey "JGTNAGYHADQMCM-UHFFFAOYSA-N" ;
skos:altLabel "perfluorbutaansulfonzuur"@nl , "perfluorbutaansulfonzuur (pfbs)"@nl , "perfluor-n-butaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "L_PFBS" , "PFBS" ;
skos:prefLabel "perfluor-n-butaansulfonzuur (pfbs)"@nl .
csc:ZZORFUFYDOWNEF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5323 ;
dbo:casNumber "122-11-2" ;
dbo:formula "C12H14N4O4S" ;
dbo:inchi "InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)" ;
dbo:iupacName "4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide"@en ;
dbo:pubchem "5323"^^xsd:int ;
dbo:smiles "COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC" ;
dbp:inchikey "ZZORFUFYDOWNEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfdmtoxne" ;
skos:prefLabel "sulfadimethoxine"@nl .
csc:SBUYFICWQNHBCM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13629 ;
dbo:casNumber "934-80-5" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3" ;
dbo:iupacName "4-Ethyl-1,2-dimethylbenzene"@en ;
dbo:pubchem "13629"^^xsd:int ;
dbo:smiles "CCC1=CC(=C(C=C1)C)C" ;
dbp:inchikey "SBUYFICWQNHBCM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DC1y4C2yBe" ;
skos:prefLabel "1,2-dimethyl-4-ethylbenzeen"@nl .
csc:YZXBAPSDXZZRGB-CGRWFSSPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5312542 ;
dbo:casNumber "506-32-1" , "7771-44-0" ;
dbo:formula "C20H32O2" ;
dbo:inchi "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+" ;
dbo:iupacName "['Icosa-5,8,11,14-tetraenoic acid', '(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid']"@en ;
dbo:pubchem "5312542"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCC=CCC=CCCCC(=O)O" ;
dbp:inchikey "YZXBAPSDXZZRGB-CGRWFSSPSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "arcdnzr" ;
skos:prefLabel "arachidonzuur"@nl .
csc:FOYHNROGBXVLLX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11369 ;
dbo:casNumber "71477-82-2" , "579-66-8" ;
dbo:formula "C10H15N" ;
dbo:inchi "InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3" ;
dbo:iupacName "2,6-Diethylaniline"@en ;
dbo:pubchem "11369"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N" ;
dbp:inchikey "FOYHNROGBXVLLX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC2yAn" ;
skos:prefLabel "2,6-diethylaniline"@nl .
csc:RDECBWLKMPEKPM-PSCJHHPTSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:183094 ;
dbo:casNumber "131929-63-0" ;
dbo:formula "C42H67NO10" ;
dbo:inchi "InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1" ;
dbo:iupacName "(1S,2S,5R,7S,9S,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-4,14-dimethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione"@en ;
dbo:pubchem "183094"^^xsd:int ;
dbo:smiles "CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C(=CC3C2CC(=O)O1)C)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C" ;
dbp:inchikey "RDECBWLKMPEKPM-PSCJHHPTSA-N" ;
skos:altLabel "spinosynD"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spinsnD" ;
skos:prefLabel "spinosynd"@nl .
csc:OBYVIBDTOCAXSN-OCAPTIKFSA-O
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1550465 ;
dbo:casNumber "110-96-3" ;
dbo:formula "C8H20N+" ;
dbo:inchi "InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3/p+1/t7-,8+" ;
dbo:iupacName "bis[(2S)-butan-2-yl]azanium"@en ;
dbo:pubchem "1550465"^^xsd:int ;
dbo:smiles "CCC(C)[NH2+]C(C)CC" ;
dbp:inchikey "OBYVIBDTOCAXSN-OCAPTIKFSA-O" ;
skos:altLabel "N,N-bis(2-methylpropyl)amine"@nl ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNb2C1yC3yAe" ;
skos:prefLabel "n,n-bis(2-methylpropyl)amine"@nl .
csc:YNDXUCZADRHECN-JNQJZLCISA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436 ;
dbo:casNumber "13586-95-3" , "138265-06-2" , "8054-16-8" , "76-25-5" ;
dbo:formula "C24H31FO6" ;
dbo:inchi "InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1" ;
dbo:iupacName "(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one"@en ;
dbo:pubchem "6436"^^xsd:int ;
dbo:smiles "CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C" ;
dbp:inchikey "YNDXUCZADRHECN-JNQJZLCISA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tacnlnactnde" ;
skos:prefLabel "triamcinolonacetonide"@nl .
csc:JNHLHPMTMTYLCP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74879 ;
dbo:casNumber "2040-10-0" ;
dbo:formula "C14H20O" ;
dbo:inchi "InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3" ;
dbo:iupacName "1-(4-tert-butyl-2,6-dimethylphenyl)ethanone"@en ;
dbo:pubchem "74879"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1C(=O)C)C)C(C)(C)C" ;
dbp:inchikey "JNHLHPMTMTYLCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC4y26DC1y" ;
skos:prefLabel "4'-tertiair-butyl-2',6'-dimethylacetofenon"@nl .
csc:MEFOUWRMVYJCQC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91779 ;
dbo:casNumber "122931-48-0" ;
dbo:formula "C14H17N5O7S2" ;
dbo:inchi "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" ;
dbo:iupacName "3-(4,6-dimethoxypyrimidin-2-yl)-1-(3-ethylsulfonylpyridin-2-yl)sulfonylurea"@en ;
dbo:pubchem "91779"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" ;
dbp:inchikey "MEFOUWRMVYJCQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rimsfrn" ;
skos:prefLabel "rimsulfuron"@nl .
csc:IQIBYAHJXQVQGB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15511 ;
dbo:casNumber "1679-09-0" ;
dbo:formula "C5H12S" ;
dbo:inchi "InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3" ;
dbo:iupacName "2-Methylbutane-2-thiol"@en ;
dbo:pubchem "15511"^^xsd:int ;
dbo:smiles "CCC(C)(C)S" ;
dbp:inchikey "IQIBYAHJXQVQGB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yl2C4atol" ;
skos:prefLabel "2-methyl-2-butaanthiol"@nl .
csc:DZBUGLKDJFMEHC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9215 ;
dbo:casNumber "260-94-6" ;
dbo:formula "C13H9N" ;
dbo:inchi "InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H" ;
dbo:iupacName "Acridine"@en ;
dbo:pubchem "9215"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=C3C=CC=CC3=N2" ;
dbp:inchikey "DZBUGLKDJFMEHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000274 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acdne" ;
skos:prefLabel "acridine"@nl .
csc:LFQCEHFDDXELDD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12682 ;
dbo:casNumber "340701-13-5" , "681-84-5" , "213778-75-7" , "188853-76-1" , "251638-46-7" , "294858-92-7" , "12547-31-8" , "136959-63-2" , "25498-02-6" , "113837-65-3" , "299177-59-6" , "12002-26-5" , "143478-32-4" ;
dbo:formula "C4H12O4Si" ;
dbo:inchi "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" ;
dbo:iupacName "Tetramethoxysilane"@en ;
dbo:pubchem "12682"^^xsd:int ;
dbo:smiles "CO[Si](OC)(OC)OC" ;
dbp:inchikey "LFQCEHFDDXELDD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003265 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1ySiO4" ;
skos:prefLabel "tetramethylsilicaat"@nl .
csc:JQCXWCOOWVGKMT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19284 ;
dbo:casNumber "3648-21-3" , "68515-44-6" , "275818-86-5" ;
dbo:formula "C22H34O4" ;
dbo:inchi "InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3" ;
dbo:iupacName "diheptyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "19284"^^xsd:int ;
dbo:smiles "CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC" ;
dbp:inchikey "JQCXWCOOWVGKMT-UHFFFAOYSA-N" ;
skos:altLabel "di-n-heptylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC7yFt" ;
skos:prefLabel "diheptylftalaat"@nl .
csc:PORWMNRCUJJQNO-RNFDNDRNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6336614 ;
dbo:casNumber "14234-28-7" ;
dbo:formula "Te" ;
dbo:inchi "InChI=1S/Te/i1+4" ;
dbo:iupacName "tellurium-132"@en ;
dbo:pubchem "6336614"^^xsd:int ;
dbo:smiles "[Te]" ;
dbp:inchikey "PORWMNRCUJJQNO-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Te132" ;
skos:prefLabel "tellurium 132"@nl .
csc:PSLWZOIUBRXAQW-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:77293 ;
dbo:casNumber "3700-67-2" , "134821-46-8" ;
dbo:formula "C38H80BrN" ;
dbo:inchi "InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dimethyl-dioctadecylazanium bromide"@en ;
dbo:pubchem "77293"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]" ;
dbp:inchikey "PSLWZOIUBRXAQW-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDC18yNH4" ;
skos:prefLabel "dimethyldioctadecylammonium bromide"@nl .
csc:MQTOSJVFKKJCRP-OHJWJPDZSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:55185 ;
dbo:casNumber "83905-01-5" ;
dbo:formula "C38H72N2O12" ;
dbo:inchi "InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22?,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1" ;
dbo:iupacName "(2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one"@en ;
dbo:pubchem "55185"^^xsd:int ;
dbo:smiles "CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O" ;
dbp:inchikey "MQTOSJVFKKJCRP-OHJWJPDZSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:exactMatch wise:CAS_83905-01-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aztmcne" ;
skos:prefLabel "azitromycine"@nl ;
vcs:vmmParameterId "1510"^^xsd:int .
csc:GAGWJHPBXLXJQN-UORFTKCHSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:60953 ;
dbo:casNumber "154361-50-9" , "158798-73-3" ;
dbo:formula "C15H22FN3O6" ;
dbo:inchi "InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1" ;
dbo:iupacName "pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate"@en ;
dbo:pubchem "60953"^^xsd:int ;
dbo:smiles "CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O" ;
dbp:inchikey "GAGWJHPBXLXJQN-UORFTKCHSA-N" ;
skos:broader csc:CHEMONTID_0004502 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "captabne" ;
skos:prefLabel "capectiabine"@nl .
csc:NKANXQFJJICGDU-QPLCGJKRSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2733526 ;
dbo:casNumber "10540-29-1" ;
dbo:formula "C26H29NO" ;
dbo:inchi "InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-" ;
dbo:iupacName "2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine"@en ;
dbo:pubchem "2733526"^^xsd:int ;
dbo:smiles "CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3" ;
dbp:inchikey "NKANXQFJJICGDU-QPLCGJKRSA-N" ;
skos:broader csc:CHEMONTID_0000253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tamxfn" ;
skos:prefLabel "tamoxifen"@nl .
csc:BCSGAWBQJHXXSE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:161559 ;
dbo:casNumber "68515-47-9" , "27253-26-5" ;
dbo:formula "C34H58O4" ;
dbo:inchi "InChI=1S/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3" ;
dbo:iupacName "bis(11-methyldodecyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "161559"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC(C)C" ;
dbp:inchikey "BCSGAWBQJHXXSE-UHFFFAOYSA-N" ;
skos:altLabel "C13-rijk di-C11-14-vertakt alkylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C13D1114akFt" , "DiC13yFt" ;
skos:prefLabel "diisotridecylftalaat"@nl .
csc:LABTWGUMFABVFG-ONEGZZNKSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:637920 ;
dbo:casNumber "3102-33-8" ;
dbo:formula "C5H8O" ;
dbo:inchi "InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+" ;
dbo:iupacName "['pent-3-en-2-one', '(E)-pent-3-en-2-one']"@en ;
dbo:pubchem "637920"^^xsd:int ;
dbo:smiles "CC=CC(=O)C" ;
dbp:inchikey "LABTWGUMFABVFG-ONEGZZNKSA-N" ;
skos:altLabel "(E)-3-penteen-2-on"@nl ;
skos:broader csc:CHEMONTID_0001363 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "E-3C5e2on" ;
skos:prefLabel "(e)-3-penteen-2-on"@nl .
csc:DPBLXKKOBLCELK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8060 ;
dbo:casNumber "110-58-7" ;
dbo:formula "C5H13N" ;
dbo:inchi "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" ;
dbo:iupacName "pentan-1-amine"@en ;
dbo:pubchem "8060"^^xsd:int ;
dbo:smiles "CCCCCN" ;
dbp:inchikey "DPBLXKKOBLCELK-UHFFFAOYSA-N" ;
skos:altLabel "n-amylamine"@nl ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NamAe" ;
skos:prefLabel "N-amylamine"@nl .
csc:RZXLPPRPEOUENN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6635 ;
dbo:casNumber "80-33-1" ;
dbo:formula "C12H8Cl2O3S" ;
dbo:inchi "InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H" ;
dbo:iupacName "(4-chlorophenyl) 4-chlorobenzenesulfonate"@en ;
dbo:pubchem "6635"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "RZXLPPRPEOUENN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004309 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clfsn" ;
skos:prefLabel "chloorfenson"@nl .
csc:QGLZXHRNAYXIBU-WEVVVXLNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9570071 ;
dbo:casNumber "116-06-3" ;
dbo:formula "C7H14N2O2S" ;
dbo:inchi "InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+" ;
dbo:iupacName "[(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "9570071"^^xsd:int ;
dbo:smiles "CC(C)(C=NOC(=O)NC)SC" ;
dbp:inchikey "QGLZXHRNAYXIBU-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0002285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alDcb" ;
skos:prefLabel "aldicarb"@nl .
csc:FSAVDKDHPDSCTO-WQLSENKSSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5377784 ;
dbo:casNumber "470-90-6" , "18708-87-7" , "135373-33-0" ;
dbo:formula "C12H14Cl3O4P" ;
dbo:inchi "InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-" ;
dbo:iupacName "['[2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate', '[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate']"@en ;
dbo:pubchem "5377784"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "FSAVDKDHPDSCTO-WQLSENKSSA-N" ;
skos:altLabel "chloorfenvinphos"@nl , "chlorfenvinphos"@nl , "alfa-chloorfenvinfos"@nl , "chloorfenvinfos"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_470-90-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clfvfs" , "aClfvfs" ;
skos:prefLabel "cis-chloorfenvinfos"@nl ;
vcs:vmmParameterId "675"^^xsd:int .
csc:BZHMBWZPUJHVEE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7907 ;
dbo:casNumber "108-08-7" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" ;
dbo:iupacName "2,4-Dimethylpentane"@en ;
dbo:pubchem "7907"^^xsd:int ;
dbo:smiles "CC(C)CC(C)C" ;
dbp:inchikey "BZHMBWZPUJHVEE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yC5a" ;
skos:prefLabel "2,4-dimethylpentaan"@nl .
csc:WQZGKKKJIJFFOK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:206 ;
dbo:casNumber "10257-28-0" , "26655-34-5" , "579-36-2" , "921-60-8" , "6038-51-3" , "3458-28-4" , "50-99-7" , "59-23-4" , "39392-65-9" , "2280-44-6" ;
dbo:formula "C6H12O6" ;
dbo:inchi "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2" ;
dbo:iupacName "6-(hydroxymethyl)oxane-2,3,4,5-tetrol"@en ;
dbo:pubchem "206"^^xsd:int ;
dbo:smiles "C(C1C(C(C(C(O1)O)O)O)O)O" ;
dbp:inchikey "WQZGKKKJIJFFOK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001498 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glucse" ;
skos:prefLabel "glucose"@nl .
csc:OYIKARCXOQLFHF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:84098 ;
dbo:casNumber "141112-29-0" ;
dbo:formula "C15H12F3NO4S" ;
dbo:inchi "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" ;
dbo:iupacName "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone"@en ;
dbo:pubchem "84098"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" ;
dbp:inchikey "OYIKARCXOQLFHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004297 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iOaftl" ;
skos:prefLabel "isoxaflutool"@nl .
csc:TWRXJAOTZQYOKJ-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24584 ;
dbo:casNumber "77069-22-8" , "12285-34-6" , "7786-30-3" ;
dbo:formula "Cl2Mg" ;
dbo:inchi "InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2" ;
dbo:iupacName "Magnesium dichloride"@en ;
dbo:pubchem "24584"^^xsd:int ;
dbo:smiles "[Mg+2].[Cl-].[Cl-]" ;
dbp:inchikey "TWRXJAOTZQYOKJ-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000568 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MgCl2" ;
skos:prefLabel "magnesiumchloride"@nl .
csc:PWHULOQIROXLJO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'mangaan en zijn verbindingen, uitgedrukt in Mn'"@nl , "VLAR III (D3, diverse art) 'Mn'"@nl , "VLAR II D5 'mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)'"@nl , "VLAR III (D3) 'Mangaan en mangaanverbindingen, uitgedrukt in mangaan (Mn)'"@nl ;
rdfs:seeAlso compound:23930 ;
dbo:casNumber "19768-33-3" , "39303-06-5" , "22325-60-6" , "8075-39-6" , "7439-96-5" , "17375-02-9" , "195161-78-5" , "8031-40-1" ;
dbo:formula "Mn" ;
dbo:inchi "InChI=1S/Mn" ;
dbo:iupacName "Manganese"@en ;
dbo:pubchem "23930"^^xsd:int ;
dbo:smiles "[Mn]" ;
dbp:inchikey "PWHULOQIROXLJO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "mangaan, opgelost"@nl , "Mangaan (Mn)"@nl , "mangaan"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)"@nl ;
skos:exactMatch wise:CAS_7439-96-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mn" ;
skos:prefLabel "mangaan (mn)"@nl ;
vcs:vmmParameterId "172"^^xsd:int , "1947"^^xsd:int , "174"^^xsd:int , "173"^^xsd:int .
csc:ZRDUSMYWDRPZRM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10234 ;
dbo:casNumber "485-31-4" ;
dbo:formula "C15H18N2O6" ;
dbo:inchi "InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3" ;
dbo:iupacName "(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate"@en ;
dbo:pubchem "10234"^^xsd:int ;
dbo:smiles "CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C" ;
dbp:inchikey "ZRDUSMYWDRPZRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "binpcl" ;
skos:prefLabel "binapacryl"@nl .
csc:XBEADGFTLHRJRB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23194 ;
dbo:casNumber "6742-54-7" , "67774-74-7" , "129813-58-7" , "29463-63-6" ;
dbo:formula "C17H28" ;
dbo:inchi "InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3" ;
dbo:iupacName "Undecylbenzene"@en ;
dbo:pubchem "23194"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC1=CC=CC=C1" ;
dbp:inchikey "XBEADGFTLHRJRB-UHFFFAOYSA-N" ;
skos:altLabel "alkyl(c10-c13)benzeen"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alkC10C13Ben" ;
skos:prefLabel "alkyl(C10-C13)benzeen"@nl .
csc:KHNYNFUTFKJLDD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9152 ;
dbo:casNumber "205-82-3" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H" ;
dbo:iupacName "pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene"@en ;
dbo:pubchem "9152"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC5=C4C3=CC=C5" ;
dbp:inchikey "KHNYNFUTFKJLDD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_205-82-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BjF" ;
skos:prefLabel "benzo(j)fluorantheen"@nl ;
vcs:vmmParameterId "1166"^^xsd:int .
csc:MOTBXEPLFOLWHZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:87676 ;
dbo:casNumber "18487-39-3" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(9)5(10)2-3/h1-2H,10H2" ;
dbo:iupacName "2,3,5-Trichloroaniline"@en ;
dbo:pubchem "87676"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1N)Cl)Cl)Cl" ;
dbp:inchikey "MOTBXEPLFOLWHZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "235TClAn" ;
skos:prefLabel "2,3,5-trichlooraniline"@nl .
csc:HYBBIBNJHNGZAN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7362 ;
dbo:casNumber "98-01-1" ;
dbo:formula "C5H4O2" ;
dbo:inchi "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" ;
dbo:iupacName "furan-2-carbaldehyde"@en ;
dbo:pubchem "7362"^^xsd:int ;
dbo:smiles "C1=COC(=C1)C=O" ;
dbp:inchikey "HYBBIBNJHNGZAN-UHFFFAOYSA-N" ;
skos:altLabel "2-furaldehyde"@nl , "2-furaldehyde "@nl ;
skos:broader csc:CHEMONTID_0003213 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "furfrl" ;
skos:prefLabel "furfural"@nl .
csc:KWKAKUADMBZCLK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'"@nl ;
rdfs:seeAlso compound:8125 ;
dbo:casNumber "68527-00-4" , "111-66-0" , "68526-54-5" ;
dbo:formula "C8H16" ;
dbo:inchi "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" ;
dbo:iupacName "oct-1-ene"@en ;
dbo:pubchem "8125"^^xsd:int ;
dbo:smiles "CCCCCCC=C" ;
dbp:inchikey "KWKAKUADMBZCLK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_011 , co:LUC_IV_005 ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C8e" ;
skos:prefLabel "1-octeen"@nl .
csc:WHUUTDBJXJRKMK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:611 ;
dbo:casNumber "56-86-0" , "10549-13-0" , "6893-26-1" , "617-65-2" , "138-16-9" , "6899-05-4" ;
dbo:formula "C5H9NO4" ;
dbo:inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)" ;
dbo:iupacName "2-aminopentanedioic acid"@en ;
dbo:pubchem "611"^^xsd:int ;
dbo:smiles "C(CC(=O)O)C(C(=O)O)N" ;
dbp:inchikey "WHUUTDBJXJRKMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glutmnzr" ;
skos:prefLabel "glutaminezuur"@nl .
csc:HFCYZXMHUIHAQI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40087 ;
dbo:casNumber "51707-55-2" ;
dbo:formula "C9H8N4OS" ;
dbo:inchi "InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)" ;
dbo:iupacName "1-phenyl-3-(thiadiazol-5-yl)urea"@en ;
dbo:pubchem "40087"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC(=O)NC2=CN=NS2" ;
dbp:inchikey "HFCYZXMHUIHAQI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thidazrn" ;
skos:prefLabel "thidiazuron"@nl .
csc:XKABJYQDMJTNGQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27919 ;
dbo:casNumber "16543-55-8" , "64162-57-8" , "53759-22-1" , "80508-23-2" , "64162-58-9" , "84237-38-7" ;
dbo:formula "C9H11N3O" ;
dbo:inchi "InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2" ;
dbo:iupacName "3-(1-nitrosopyrrolidin-2-yl)pyridine"@en ;
dbo:pubchem "27919"^^xsd:int ;
dbo:smiles "C1CC(N(C1)N=O)C2=CN=CC=C2" ;
dbp:inchikey "XKABJYQDMJTNGQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001975 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NOnnctne" ;
skos:prefLabel "nitrosonornicotine"@nl .
csc:DMVOXQPQNTYEKQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7102 ;
dbo:casNumber "92-67-1" ;
dbo:formula "C12H11N" ;
dbo:inchi "InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2" ;
dbo:iupacName "4-Phenylaniline"@en ;
dbo:pubchem "7102"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)N" ;
dbp:inchikey "DMVOXQPQNTYEKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4AoDFy" ;
skos:prefLabel "4-aminodifenyl"@nl .
csc:SZIFAVKTNFCBPC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:34 ;
dbo:casNumber "1867-09-0" , "59826-67-4" , "107-07-3" ;
dbo:formula "C2H5ClO" ;
dbo:inchi "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2" ;
dbo:iupacName "['2-CHLOROETHANOL', '2-chloroethynol']"@en ;
dbo:pubchem "34"^^xsd:int ;
dbo:smiles "C(CCl)O" ;
dbp:inchikey "SZIFAVKTNFCBPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002608 ;
skos:exactMatch wise:CAS_107-07-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClC2ol" ;
skos:prefLabel "2-chloorethanol"@nl ;
vcs:vmmParameterId "351"^^xsd:int .
csc:BHIWKHZACMWKOJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11039 ;
dbo:casNumber "547-63-7" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3" ;
dbo:iupacName "Methyl 2-methylpropanoate"@en ;
dbo:pubchem "11039"^^xsd:int ;
dbo:smiles "CC(C)C(=O)OC" ;
dbp:inchikey "BHIWKHZACMWKOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003416 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y2C1yppnat" ;
skos:prefLabel "methyl 2-methylpropanoaat"@nl .
csc:QSHDDOUJBYECFT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II (D5) 'kwik en zijn verbindingen' en 'kwik en kwikverbindingen, uitgedrukt als kwik(Hg)' en 'kwik en zijn verbindingen (uitgedrukt in Hg)'"@nl , "VLAR III (D3 art. 3.12.3.1.6) 'kwik'"@nl , "VLAR III (D3) 'kwik en kwikverbindingen, uitgedrukt als kwik (Hg)'"@nl , "VLAR II bijl. 2.5.8.4 'totaal gasvormig kwik'"@nl , "VLAR II (D2) 'kwik'"@nl , "VLAR III (D3, diverse art) 'Hg'"@nl , "VLAR III (D3) 'kwik en zijn verbindingen, uitgedrukt als kwik (Hg)'"@nl , "VLAR II bijl. 4.4.2 'Kwik en zijn verbindingen, uitgedrukt in Hg'"@nl ;
rdfs:seeAlso compound:23931 ;
dbo:casNumber "8030-64-6" , "92355-34-5" , "123720-03-6" , "92786-62-4" , "51887-47-9" , "7439-97-6" , "149038-91-5" ;
dbo:formula "Hg" ;
dbo:inchi "InChI=1S/Hg" ;
dbo:iupacName "Mercury"@en ;
dbo:pubchem "23931"^^xsd:int ;
dbo:smiles "[Hg]" ;
dbp:inchikey "QSHDDOUJBYECFT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "kwik"@nl , "kwik, opgelost"@nl , "kwik (hg)"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "kwik en kwikverbindingen, uitgedrukt als kwik (Hg)"@nl ;
skos:exactMatch wise:CAS_7439-97-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hg" ;
skos:prefLabel "Kwik (Hg)"@nl ;
vcs:vmmParameterId "694"^^xsd:int , "166"^^xsd:int , "168"^^xsd:int , "167"^^xsd:int .
csc:WABPQHHGFIMREM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'lood en zijn verbindingen, uitgedrukt in Pb'"@nl , "VLAR II (D2), diverse artikels 'lood'"@nl , "VLAR III (D3) 'lood-verbindingen, uitgedrukt als Pb'"@nl , "VLAR III (D3, diverse art) 'Pb'"@nl , "VLAR II (D5) 'lood en zijn verbindingen, uitgedrukt in/als Pb' 'lood en loodverbindingen, uitgedrukt als lood (Pb)'"@nl , "VLAR III (D3) 'lood en loodverbindingen, uitgedrukt als lood (Pb)'"@nl , "VLAR III (D3, diverse art) 'lood en zijn verbindingen, uitgedrukt in Pb'"@nl , "VLAR bijl. 2.5.2. 'lood'"@nl ;
rdfs:seeAlso compound:5352425 ;
dbo:casNumber "7439-92-1" , "724427-66-1" , "15158-12-0" , "14701-27-0" , "54076-28-7" ;
dbo:formula "Pb" ;
dbo:inchi "InChI=1S/Pb" ;
dbo:iupacName "Lead"@en ;
dbo:pubchem "5352425"^^xsd:int ;
dbo:smiles "[Pb]" ;
dbp:inchikey "WABPQHHGFIMREM-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "lood"@nl , "lood, opgelost"@nl , "lood (pb)"@nl ;
skos:broader csc:CHEMONTID_0000427 ;
skos:definition "lood en loodverbindingen, uitgedrukt als lood (Pb)"@nl ;
skos:exactMatch wise:CAS_7439-92-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pb" ;
skos:prefLabel "Lood (Pb)"@nl ;
vcs:vmmParameterId "1956"^^xsd:int , "170"^^xsd:int , "171"^^xsd:int , "169"^^xsd:int .
csc:PGCGUUGEUBFBPP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16126812 ;
dbo:casNumber "20859-73-8" ;
dbo:formula "AlP" ;
dbo:inchi "InChI=1S/Al.P/q+3;-3" ;
dbo:iupacName "aluminum phosphorus(-3) anion"@en ;
dbo:pubchem "16126812"^^xsd:int ;
dbo:smiles "[Al+3].[P-3]" ;
dbp:inchikey "PGCGUUGEUBFBPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000444 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AlP" ;
skos:prefLabel "aluminiumfosfide"@nl .
csc:ZQUPQXINXTWCQR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:63072 ;
dbo:casNumber "74472-42-7" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-8(15)4-9(16)11(17)12(10)18/h1-4H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "63072"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "ZQUPQXINXTWCQR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB158" ;
skos:prefLabel "2,3,3',4,4',6-hexachloorbifenyl"@nl .
csc:KYGZCKSPAKDVKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4628 ;
dbo:casNumber "14698-29-4" ;
dbo:formula "C13H11NO5" ;
dbo:inchi "InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)" ;
dbo:iupacName "5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid"@en ;
dbo:pubchem "4628"^^xsd:int ;
dbo:smiles "CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O" ;
dbp:inchikey "KYGZCKSPAKDVKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oolnzr" ;
skos:prefLabel "oxolinezuur"@nl .
csc:XKJMBINCVNINCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9502 ;
dbo:casNumber "330-55-2" , "56645-87-5" ;
dbo:formula "C9H10Cl2N2O2" ;
dbo:inchi "InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" ;
dbo:iupacName "3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea"@en ;
dbo:pubchem "9502"^^xsd:int ;
dbo:smiles "CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC" ;
dbp:inchikey "XKJMBINCVNINCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_330-55-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "linrn" ;
skos:prefLabel "linuron"@nl ;
vcs:vmmParameterId "275"^^xsd:int .
csc:SPTHHTGLGVZZRH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:47364 ;
dbo:casNumber "64436-13-1" ;
dbo:formula "C5H11AsO2" ;
dbo:inchi "InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3" ;
dbo:iupacName "2-trimethylarsoniumylacetate"@en ;
dbo:pubchem "47364"^^xsd:int ;
dbo:smiles "C[As+](C)(C)CC(=O)[O-]" ;
dbp:inchikey "SPTHHTGLGVZZRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004238 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "arsenobeta\uFFFDne"@nl .
csc:AMIMRNSIRUDHCM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6561 ;
dbo:casNumber "78-84-2" , "26140-46-5" ;
dbo:formula "C4H8O" ;
dbo:inchi "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" ;
dbo:iupacName "2-Methylpropanal"@en ;
dbo:pubchem "6561"^^xsd:int ;
dbo:smiles "CC(C)C=O" ;
dbp:inchikey "AMIMRNSIRUDHCM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002230 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y1C3al" ;
skos:prefLabel "2-methyl-1-propanal"@nl .
csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'ammoniak'"@nl , "VLAR II (D2/D5) 'ammoniak' en 'ammoniak (NH3)' en 'NH3'"@nl , "VLAR III (D3, diverse art) 'NH3'"@nl ;
rdfs:seeAlso compound:222 ;
dbo:casNumber "208990-07-2" , "8007-57-6" , "13774-92-0" , "15194-15-7" , "7664-41-7" , "214478-05-4" , "17778-88-0" ;
dbo:formula "H3N" ;
dbo:inchi "InChI=1S/H3N/h1H3" ;
dbo:iupacName "['$l^{1}-azane', 'azane']"@en ;
dbo:pubchem "222"^^xsd:int ;
dbo:smiles "N" ;
dbp:inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_003 ;
skos:altLabel "ammoniak"@nl , "ammoniak (nh3)"@nl ;
skos:broader csc:CHEMONTID_0000434 ;
skos:exactMatch wise:CAS_7664-41-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NH3" ;
skos:prefLabel "ammoniak (NH3)"@nl ;
vcs:vmmParameterId "19"^^xsd:int .
csc:JRUGFHHEKLYFPC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:154380 ;
dbo:casNumber "57964-40-6" ;
dbo:formula "C14H14N2" ;
dbo:inchi "InChI=1S/C14H14N2/c15-9-3-4-11-7-8-12(10-16)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-8H2" ;
dbo:iupacName "4-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile"@en ;
dbo:pubchem "154380"^^xsd:int ;
dbo:smiles "C1CC(C2=CC=CC=C2C1CCC#N)C#N" ;
dbp:inchikey "JRUGFHHEKLYFPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4CN1234T4HNa" ;
skos:prefLabel "4-cyaan-1,2,3,4-tetrahydro-1-naftaleenacetonitril"@nl .
csc:WHOKDONDRZNCBC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7173 ;
dbo:casNumber "94-11-1" ;
dbo:formula "C11H12Cl2O3" ;
dbo:inchi "InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3" ;
dbo:iupacName "propan-2-yl 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "7173"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "WHOKDONDRZNCBC-UHFFFAOYSA-N" ;
skos:altLabel "2,4-D isopropyl ester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DiC3yEsr" ;
skos:prefLabel "2,4-d isopropyl ester"@nl .
csc:SBYAVOHNDJTVPA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:35699 ;
dbo:casNumber "30979-48-7" ;
dbo:formula "C8H15N3O2" ;
dbo:inchi "InChI=1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)" ;
dbo:iupacName "N-(2-methylpropyl)-2-oxoimidazolidine-1-carboxamide"@en ;
dbo:pubchem "35699"^^xsd:int ;
dbo:smiles "CC(C)CNC(=O)N1CCNC1=O" ;
dbp:inchikey "SBYAVOHNDJTVPA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000079 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "icbmd" ;
skos:prefLabel "iso-carbamid"@nl .
csc:VOWAEIGWURALJQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6777 ;
dbo:casNumber "55819-02-8" , "169741-16-6" , "84-61-7" ;
dbo:formula "C20H26O4" ;
dbo:inchi "InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2" ;
dbo:iupacName "dicyclohexyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6777"^^xsd:int ;
dbo:smiles "C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3" ;
dbp:inchikey "VOWAEIGWURALJQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DccC6yFt" ;
skos:prefLabel "dicyclohexylftalaat"@nl .
csc:HMIBKHHNXANVHR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:44178 ;
dbo:casNumber "62850-32-2" ;
dbo:formula "C13H19NO2S" ;
dbo:inchi "InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3" ;
dbo:iupacName "S-[4-(phenoxy)butyl] dimethylaminomethanethioate"@en ;
dbo:pubchem "44178"^^xsd:int ;
dbo:smiles "CN(C)C(=O)SCCCCOC1=CC=CC=C1" ;
dbp:inchikey "HMIBKHHNXANVHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gentocb" ;
skos:prefLabel "fenothiocarb"@nl .
csc:GUCVJGMIXFAOAE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23936 ;
dbo:casNumber "7440-03-1" , "26842-13-7" ;
dbo:formula "Nb" ;
dbo:inchi "InChI=1S/Nb" ;
dbo:iupacName "NIOBIUM"@en ;
dbo:pubchem "23936"^^xsd:int ;
dbo:smiles "[Nb]" ;
dbp:inchikey "GUCVJGMIXFAOAE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nb" ;
skos:prefLabel "niobium"@nl .
csc:XRWMGCFJVKDVMD-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18669 ;
dbo:casNumber "3282-73-3" , "13146-86-6" ;
dbo:formula "C26H56BrN" ;
dbo:inchi "InChI=1S/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "didodecyl-dimethylazanium bromide"@en ;
dbo:pubchem "18669"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]" ;
dbp:inchikey "XRWMGCFJVKDVMD-UHFFFAOYSA-M" ;
skos:altLabel "didodecyldimethylammonium"@nl ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC12yDC1yNH4" ;
skos:prefLabel "didodecyldimethylammonium bromide"@nl .
csc:RLSSMJSEOOYNOY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:342 ;
dbo:casNumber "15831-10-4" , "108-39-4" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" ;
dbo:iupacName "3-methylphenol"@en ;
dbo:pubchem "342"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)O" ;
dbp:inchikey "RLSSMJSEOOYNOY-UHFFFAOYSA-N" ;
skos:altLabel "m-cresol"@nl , "3-methylfenol (m-cresol)"@nl ;
skos:broader csc:CHEMONTID_0001273 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mcresl" ;
skos:prefLabel "3-methylfenol"@nl .
csc:YMWUJEATGCHHMB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II Art. 5.23.1.1."@nl , "VLAR II Art. 5.4.3.1.4 'methyleenchloride'"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6344 ;
dbo:casNumber "75-09-2" , "1605-72-7" ;
dbo:formula "CH2Cl2" ;
dbo:inchi "InChI=1S/CH2Cl2/c2-1-3/h1H2" ;
dbo:iupacName "Dichloromethane"@en ;
dbo:pubchem "6344"^^xsd:int ;
dbo:smiles "C(Cl)Cl" ;
dbp:inchikey "YMWUJEATGCHHMB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000co:WAC_IV_B_040 , co:LUC_IV_002 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_75-09-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClC1a" ;
skos:prefLabel "dichloormethaan"@nl ;
vcs:vmmParameterId "379"^^xsd:int .
csc:YBRBMKDOPFTVDT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6385 ;
dbo:casNumber "94896-77-2" , "75-64-9" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" ;
dbo:iupacName "2-methylpropan-2-amine"@en ;
dbo:pubchem "6385"^^xsd:int ;
dbo:smiles "CC(C)(C)N" ;
dbp:inchikey "YBRBMKDOPFTVDT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ttC4yAe" ;
skos:prefLabel "tert-butylamine"@nl .
csc:SUBDBMMJDZJVOS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4594 ;
dbo:casNumber "131959-78-9" , "73590-58-6" , "172964-80-6" ;
dbo:formula "C17H19N3O3S" ;
dbo:inchi "InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)" ;
dbo:iupacName "6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole"@en ;
dbo:pubchem "4594"^^xsd:int ;
dbo:smiles "CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC" ;
dbp:inchikey "SUBDBMMJDZJVOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001891 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ompzl" ;
skos:prefLabel "omeprazol"@nl .
csc:NDAUXUAQIAJITI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2083 ;
dbo:casNumber "18559-94-9" , "35763-26-9" ;
dbo:formula "C13H21NO3" ;
dbo:inchi "InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3" ;
dbo:iupacName "4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol"@en ;
dbo:pubchem "2083"^^xsd:int ;
dbo:smiles "CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O" ;
dbp:inchikey "NDAUXUAQIAJITI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000033 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "salbtml" ;
skos:prefLabel "salbutamol"@nl .
csc:QCAWEPFNJXQPAN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:105010 ;
dbo:casNumber "163442-56-6" , "161050-58-4" ;
dbo:formula "C22H28N2O3" ;
dbo:inchi "InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)" ;
dbo:iupacName "N-tert-butyl-N'-(3-methoxy-2-methylbenzoyl)-3,5-dimethylbenzohydrazide"@en ;
dbo:pubchem "105010"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C" ;
dbp:inchikey "QCAWEPFNJXQPAN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000176 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxfnzde" ;
skos:prefLabel "methoxyfenozide"@nl .
csc:PLAZTCDQAHEYBI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6944 ;
dbo:casNumber "57158-05-1" , "88-72-2" ;
dbo:formula "C7H7NO2" ;
dbo:inchi "InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3" ;
dbo:iupacName "1-Methyl-2-nitrobenzene"@en ;
dbo:pubchem "6944"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1[N+](=O)[O-]" ;
dbp:inchikey "PLAZTCDQAHEYBI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2Tol" ;
skos:prefLabel "2-nitrotolueen"@nl .
csc:ICOAEPDGFWLUTI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:36647 ;
dbo:casNumber "33979-03-2" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H" ;
dbo:iupacName "1,3,5-trichloro-2-(2,4,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "36647"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "ICOAEPDGFWLUTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB155" ;
skos:prefLabel "2,2',4,4',6,6'-hexachloorbifenyl"@nl .
csc:DTMRKGRREZAYAP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:37251 ;
dbo:casNumber "35694-08-7" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "37251"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "DTMRKGRREZAYAP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB194" ;
skos:prefLabel "2,2',3,3',4,4',5,5'-octachloorbifenyl"@nl .
csc:ISEUFVQQFVOBCY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4928 ;
dbo:casNumber "1610-18-0" , "11126-75-3" ;
dbo:formula "C10H19N5O" ;
dbo:inchi "InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "6-methoxy-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "4928"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)OC)NC(C)C" ;
dbp:inchikey "ISEUFVQQFVOBCY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004731 ;
skos:exactMatch wise:CAS_1610-18-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "promtn" ;
skos:prefLabel "prometon"@nl ;
vcs:vmmParameterId "1077"^^xsd:int .
csc:IEDVJHCEMCRBQM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5578 ;
dbo:casNumber "738-70-5" ;
dbo:formula "C14H18N4O3" ;
dbo:inchi "InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)" ;
dbo:iupacName "5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine"@en ;
dbo:pubchem "5578"^^xsd:int ;
dbo:smiles "COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N" ;
dbp:inchikey "IEDVJHCEMCRBQM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:exactMatch wise:CAS_738-70-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tmtpm" ;
skos:prefLabel "trimethoprim"@nl ;
vcs:vmmParameterId "1409"^^xsd:int .
csc:GWXLDORMOJMVQZ-RNFDNDRNSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26874 ;
dbo:casNumber "14762-78-8" ;
dbo:formula "Ce" ;
dbo:inchi "InChI=1S/Ce/i1+4" ;
dbo:iupacName "cerium-144"@en ;
dbo:pubchem "26874"^^xsd:int ;
dbo:smiles "[Ce]" ;
dbp:inchikey "GWXLDORMOJMVQZ-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ce144" ;
skos:prefLabel "cerium 144"@nl .
csc:UOORRWUZONOOLO-UPHRSURJSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5280970 ;
dbo:casNumber "542-75-6" , "10061-01-5" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-" ;
dbo:iupacName "(Z)-1,3-dichloroprop-1-ene"@en ;
dbo:pubchem "5280970"^^xsd:int ;
dbo:smiles "C(C=CCl)Cl" ;
dbp:inchikey "UOORRWUZONOOLO-UPHRSURJSA-N" ;
skos:altLabel "1,3-dichloorpropeen"@nl , "1,3-dichloorpropeen (cis+trans)"@nl , "1,3-dichloorpropeen, cis"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_542-75-6 , wise:CAS_10061-01-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c13DClC3e" , "13DClC3e" ;
skos:prefLabel "cis-1,3-dichloorpropeen"@nl ;
vcs:vmmParameterId "895"^^xsd:int , "326"^^xsd:int .
csc:BMXXSXQVMCXGJM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17139 ;
dbo:casNumber "2448-68-2" , "1893-33-0" ;
dbo:formula "C21H32Cl2FN3O2" ;
dbo:inchi "InChI=1S/C21H30FN3O2.2ClH/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;;/h6-9H,1-5,10-16H2,(H2,23,27);2*1H" ;
dbo:iupacName "1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride"@en ;
dbo:pubchem "17139"^^xsd:int ;
dbo:smiles "C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.[Cl-].[Cl-]" ;
dbp:inchikey "BMXXSXQVMCXGJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pipprn" ;
skos:prefLabel "pipamperon"@nl .
csc:JLVVSXFLKOJNIY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:888 ;
dbo:casNumber "22537-22-0" , "7439-95-4" ;
dbo:formula "Mg+2" ;
dbo:inchi "InChI=1S/Mg/q+2" ;
dbo:iupacName "magnesium(+2) cation"@en ;
dbo:pubchem "888"^^xsd:int ;
dbo:smiles "[Mg+2]" ;
dbp:inchikey "JLVVSXFLKOJNIY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_A_009 ;
skos:altLabel "magnesium, tweewaardig"@nl ;
skos:broader csc:CHEMONTID_0000428 ;
skos:exactMatch wise:CAS_7439-95-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mg" ;
skos:prefLabel "magnesium"@nl ;
vcs:vmmParameterId "986"^^xsd:int , "742"^^xsd:int , "1259"^^xsd:int .
csc:PNLQPWWBHXMFCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11203 ;
dbo:casNumber "557-98-2" ;
dbo:formula "C3H5Cl" ;
dbo:inchi "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" ;
dbo:iupacName "2-chloroprop-1-ene"@en ;
dbo:pubchem "11203"^^xsd:int ;
dbo:smiles "CC(=C)Cl" ;
dbp:inchikey "PNLQPWWBHXMFCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClC3e" ;
skos:prefLabel "2-chloorpropeen"@nl .
csc:XXBDWLFCJWSEKW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7681 ;
dbo:casNumber "103-83-3" , "59125-51-8" , "28262-13-7" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3" ;
dbo:iupacName "N,N-dimethyl-1-phenylmethanamine"@en ;
dbo:pubchem "7681"^^xsd:int ;
dbo:smiles "CN(C)CC1=CC=CC=C1" ;
dbp:inchikey "XXBDWLFCJWSEKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1ybenzAe" ;
skos:prefLabel "dimethylbenzylamine"@nl .
csc:WWYNJERNGUHSAO-XUDSTZEESA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13109 ;
dbo:casNumber "6533-00-2" , "797-62-6" , "4222-79-1" , "121714-72-5" , "797-63-7" ;
dbo:formula "C21H28O2" ;
dbo:inchi "InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "13109"^^xsd:int ;
dbo:smiles "CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34" ;
dbp:inchikey "WWYNJERNGUHSAO-XUDSTZEESA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "levngsl" ;
skos:prefLabel "levonorgestrel"@nl .
csc:UIOFUWFRIANQPC-JKIFEVAISA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21319 ;
dbo:casNumber "5250-39-5" ;
dbo:formula "C19H17ClFN3O5S" ;
dbo:inchi "InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1" ;
dbo:iupacName "(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en ;
dbo:pubchem "21319"^^xsd:int ;
dbo:smiles "CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O" ;
dbp:inchikey "UIOFUWFRIANQPC-JKIFEVAISA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flucaclne" ;
skos:prefLabel "flucloxacilline"@nl .
csc:INMHJULHWVWVFN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:81165 ;
dbo:casNumber "6654-64-4" ;
dbo:formula "C10H8O9S3" ;
dbo:inchi "InChI=1S/C10H8O9S3/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)" ;
dbo:iupacName "naphthalene-1,3,5-trisulfonic acid"@en ;
dbo:pubchem "81165"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O" ;
dbp:inchikey "INMHJULHWVWVFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf135Tsfzr" ;
skos:prefLabel "naftaleen-1,3,5-trisulfonzuur"@nl .
csc:IGJQUJNPMOYEJY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14079 ;
dbo:casNumber "1072-83-9" ;
dbo:formula "C6H7NO" ;
dbo:inchi "InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3" ;
dbo:iupacName "1-(1H-Pyrrol-2-yl)ethanone"@en ;
dbo:pubchem "14079"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=CN1" ;
dbp:inchikey "IGJQUJNPMOYEJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2actprl" ;
skos:prefLabel "2-acetylpyrrol"@nl .
csc:NDXGRHCEHPFUSU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74912 ;
dbo:casNumber "2050-89-7" ;
dbo:formula "C12H12N2" ;
dbo:inchi "InChI=1S/C12H12N2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,13-14H2" ;
dbo:iupacName "3-(3-aminophenyl)aniline"@en ;
dbo:pubchem "74912"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)N)C2=CC(=CC=C2)N" ;
dbp:inchikey "NDXGRHCEHPFUSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mbenzdne" ;
skos:prefLabel "m-benzidine"@nl .
csc:VBKKVDGJXVOLNE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6531 ;
dbo:casNumber "78-34-2" ;
dbo:formula "C12H26O6P2S4" ;
dbo:inchi "InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3" ;
dbo:iupacName "(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "6531"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC" ;
dbp:inchikey "VBKKVDGJXVOLNE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001313 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DOxton" ;
skos:prefLabel "dioxathion"@nl .
csc:OCDAWJYGVOLXGZ-VPVMAENOSA-K
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:197281 ;
dbo:casNumber "113662-23-0" , "127000-20-8" , "12700-20-8" ;
dbo:formula "C36H62GdN5O21" ;
dbo:inchi "InChI=1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1" ;
dbo:iupacName "2-[2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]-3-phenylmethoxypropanoate; gadolinium(+3) cation; hydron; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol"@en ;
dbo:pubchem "197281"^^xsd:int ;
dbo:smiles "[H+].[H+].CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]" ;
dbp:inchikey "OCDAWJYGVOLXGZ-VPVMAENOSA-K" ;
skos:broader csc:CHEMONTID_0002995 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gadbzr" ;
skos:prefLabel "gadobeenzuur"@nl .
csc:YGDPIDTZOQGPAX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91648 ;
dbo:casNumber "52663-79-3" ;
dbo:formula "C12HCl9" ;
dbo:inchi "InChI=1S/C12HCl9/c13-2-1-3(14)6(15)7(16)4(2)5-8(17)10(19)12(21)11(20)9(5)18/h1H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,4,6-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "91648"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "YGDPIDTZOQGPAX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB207" ;
skos:prefLabel "2,2',3,3',4,4',5,6,6'-nonachloorbifenyl"@nl .
csc:UIWYJDYFSGRHKR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23982 ;
dbo:casNumber "7440-54-2" , "87677-94-9" , "110123-54-1" ;
dbo:formula "Gd" ;
dbo:inchi "InChI=1S/Gd" ;
dbo:iupacName "GADOLINIUM"@en ;
dbo:pubchem "23982"^^xsd:int ;
dbo:smiles "[Gd]" ;
dbp:inchikey "UIWYJDYFSGRHKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Gd" ;
skos:prefLabel "gadolinium"@nl .
csc:XLOMVQKBTHCTTD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14806 ;
dbo:casNumber "8047-69-6" , "8011-84-5" , "1314-13-2" , "8050-42-8" , "56592-00-8" , "8047-36-7" , "78590-82-6" , "185461-95-4" , "57206-86-7" , "8051-03-4" ;
dbo:formula "OZn" ;
dbo:inchi "InChI=1S/O.Zn" ;
dbo:iupacName "oxozinc"@en ;
dbo:pubchem "14806"^^xsd:int ;
dbo:smiles "O=[Zn]" ;
dbp:inchikey "XLOMVQKBTHCTTD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ZnO" ;
skos:prefLabel "zinkoxide"@nl .
csc:YAYNEUUHHLGGAH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8192 ;
dbo:casNumber "112-52-7" ;
dbo:formula "C12H25Cl" ;
dbo:inchi "InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3" ;
dbo:iupacName "1-Chlorododecane"@en ;
dbo:pubchem "8192"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCl" ;
dbp:inchikey "YAYNEUUHHLGGAH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClC12a" ;
skos:prefLabel "1-chloordodecaan"@nl .
csc:WZZRJCUYSKKFHO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:90756 ;
dbo:casNumber "22212-56-2" ;
dbo:formula "C16H13Cl2NO3" ;
dbo:inchi "InChI=1S/C16H13Cl2NO3/c1-10(16(21)22)19(12-7-8-13(17)14(18)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)" ;
dbo:iupacName "2-[benzoyl-(3,4-dichlorophenyl)amino]propanoic acid"@en ;
dbo:pubchem "90756"^^xsd:int ;
dbo:smiles "CC(C(=O)O)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "WZZRJCUYSKKFHO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzypp" ;
skos:prefLabel "benzoylprop"@nl .
csc:VITSNECNFNNVQB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11759 ;
dbo:casNumber "601-88-7" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H" ;
dbo:iupacName "1,3-Dichloro-2-nitrobenzene"@en ;
dbo:pubchem "11759"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl" ;
dbp:inchikey "VITSNECNFNNVQB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2,6-dichloornitrobenzeen"@nl .
csc:BJQHLKABXJIVAM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8343 ;
dbo:casNumber "117-81-7" , "82208-43-3" , "275818-89-8" , "15495-94-0" , "126639-29-0" , "50885-87-5" , "137718-37-7" , "40120-69-2" , "205180-59-2" , "8033-53-2" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3" ;
dbo:iupacName "bis(2-ethylhexyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8343"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC" ;
dbp:inchikey "BJQHLKABXJIVAM-UHFFFAOYSA-N" ;
skos:altLabel "bis-(2-ethylhexyl)-ftalaat"@nl , "bis(2-ethylhexyl)ftalaat (DEHP)"@nl , "di(2-ethylhexyl)-ftalaat (dehp)"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_117-81-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DEHP" ;
skos:prefLabel "bis(2-ethylhexyl)ftalaat (dehp)"@nl ;
vcs:vmmParameterId "59"^^xsd:int .
csc:UAIXRPCCYXNJMQ-CHLZSUIASA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11969480 ;
dbo:casNumber "55327-62-3" , "53187-13-6" , "53152-21-9" , "64425-21-4" , "52485-79-7" ;
dbo:formula "C29H42ClNO4" ;
dbo:inchi "InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26+,27-,28+,29?;/m1./s1" ;
dbo:iupacName "(1S,2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride"@en ;
dbo:pubchem "11969480"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.Cl" ;
dbp:inchikey "UAIXRPCCYXNJMQ-CHLZSUIASA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bupofne" ;
skos:prefLabel "buprenorfine"@nl .
csc:WDNBURPWRNALGP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7258 ;
dbo:casNumber "95-77-2" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H" ;
dbo:iupacName "3,4-Dichlorophenol"@en ;
dbo:pubchem "7258"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1O)Cl)Cl" ;
dbp:inchikey "WDNBURPWRNALGP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClFol" ;
skos:prefLabel "3,4-dichloorfenol"@nl .
csc:ZZYSLNWGKKDOML-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86354 ;
dbo:casNumber "119168-77-3" ;
dbo:formula "C18H24ClN3O" ;
dbo:inchi "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" ;
dbo:iupacName "N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide"@en ;
dbo:pubchem "86354"^^xsd:int ;
dbo:smiles "CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C" ;
dbp:inchikey "ZZYSLNWGKKDOML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebfprd" ;
skos:prefLabel "tebufenpyrad"@nl .
csc:UMGDCJDMYOKAJW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6118 ;
dbo:casNumber "62-56-6" ;
dbo:formula "CH4N2S" ;
dbo:inchi "InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)" ;
dbo:iupacName "Thiourea"@en ;
dbo:pubchem "6118"^^xsd:int ;
dbo:smiles "C(=N)(N)S" ;
dbp:inchikey "UMGDCJDMYOKAJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tourm" ;
skos:prefLabel "thioureum"@nl .
csc:UQMGJOKDKOLIDP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:36187 ;
dbo:casNumber "32598-13-3" , "80333-65-9" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H" ;
dbo:iupacName "1,2-dichloro-4-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "36187"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "UQMGJOKDKOLIDP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "3,3',4,4'-tetrachloorbifenyl (pcb77)"@nl , "3,3',4,4'-tetrachloorbifenyl"@nl , "pcb 77"@nl , "PCB77"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_32598-13-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB77" ;
skos:prefLabel "pcb77"@nl ;
vcs:vmmParameterId "1375"^^xsd:int .
csc:MWOOGOJBHIARFG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1183 ;
dbo:casNumber "8014-42-4" , "52447-63-9" , "121-33-5" ;
dbo:formula "C8H8O3" ;
dbo:inchi "InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3" ;
dbo:iupacName "4-Hydroxy-3-methoxybenzaldehyde"@en ;
dbo:pubchem "1183"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)C=O)O" ;
dbp:inchikey "MWOOGOJBHIARFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000190 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vanlne" ;
skos:prefLabel "vanilline"@nl .
csc:IQDGSYLLQPDQDV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10473 ;
dbo:casNumber "506-59-2" ;
dbo:formula "C2H8ClN" ;
dbo:inchi "InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H" ;
dbo:iupacName "['N-Methylmethanamine hydrochloride', 'hydron; N-methylmethanamine; chloride']"@en ;
dbo:pubchem "10473"^^xsd:int ;
dbo:smiles "CNC.Cl" ;
dbp:inchikey "IQDGSYLLQPDQDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yAeHCl" ;
skos:prefLabel "dimethylamine-hydrochloride"@nl .
csc:GOJCZVPJCKEBQV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6819 ;
dbo:casNumber "85-70-1" ;
dbo:formula "C18H24O6" ;
dbo:inchi "InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3" ;
dbo:iupacName "O2-(2-butoxy-2-oxoethyl) O1-butyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6819"^^xsd:int ;
dbo:smiles "CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC" ;
dbp:inchikey "GOJCZVPJCKEBQV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yFtyC4ygcl" ;
skos:prefLabel "butyl ftalyl butyl glycolaat"@nl .
csc:JTZCTMAVMHRNTR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41463 ;
dbo:casNumber "55512-33-9" ;
dbo:formula "C19H23ClN2O2S" ;
dbo:inchi "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" ;
dbo:iupacName "(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate"@en ;
dbo:pubchem "41463"^^xsd:int ;
dbo:smiles "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" ;
dbp:inchikey "JTZCTMAVMHRNTR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdt" ;
skos:prefLabel "pyridaat"@nl .
csc:HHRACYLRBOUBKM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18360 ;
dbo:casNumber "71281-67-9" , "99938-81-5" , "3101-60-8" , "128994-01-4" , "124632-41-3" , "29298-03-1" ;
dbo:formula "C13H18O2" ;
dbo:inchi "InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3" ;
dbo:iupacName "2-[(4-tert-butylphenoxy)methyl]oxirane"@en ;
dbo:pubchem "18360"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)OCC2CO2" ;
dbp:inchikey "HHRACYLRBOUBKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC4yFygcdE" ;
skos:prefLabel "4-tert-butylfenylglycidylether"@nl .
csc:BHNZEZWIUMJCGF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6388 ;
dbo:casNumber "65762-25-6" , "75-68-3" ;
dbo:formula "C2H3ClF2" ;
dbo:inchi "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" ;
dbo:iupacName "1-Chloro-1,1-difluoroethane"@en ;
dbo:pubchem "6388"^^xsd:int ;
dbo:smiles "CC(F)(F)Cl" ;
dbp:inchikey "BHNZEZWIUMJCGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK142b" ;
skos:prefLabel "1-chloor-1,1-difluorethaan"@nl .
csc:OBYVIBDTOCAXSN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12277 ;
dbo:casNumber "626-23-3" ;
dbo:formula "C8H19N" ;
dbo:inchi "InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3" ;
dbo:iupacName "N-butan-2-ylbutan-2-amine"@en ;
dbo:pubchem "12277"^^xsd:int ;
dbo:smiles "CCC(C)NC(C)CC" ;
dbp:inchikey "OBYVIBDTOCAXSN-UHFFFAOYSA-N" ;
skos:altLabel "N-(1-methylpropyl)-2-butaanamine"@nl ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N1C1yC3y2C4a" ;
skos:prefLabel "n-(1-methylpropyl)-2-butaanamine"@nl .
csc:LKHLFUVHHXCNJH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38016 ;
dbo:casNumber "38380-04-0" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-1-2-7(14)12(18)11(6)5-3-9(16)10(17)4-8(5)15/h1-4H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "38016"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "LKHLFUVHHXCNJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB149" ;
skos:prefLabel "2,2',3,4',5',6-hexachloorbifenyl"@nl .
csc:ZQEIXNIJLIKNTD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:42586 ;
dbo:casNumber "102256-63-3" , "57837-19-1" ;
dbo:formula "C15H21NO4" ;
dbo:inchi "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3" ;
dbo:iupacName "methyl 2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoate"@en ;
dbo:pubchem "42586"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" ;
dbp:inchikey "ZQEIXNIJLIKNTD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:exactMatch wise:CAS_57837-19-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mlxl" ;
skos:prefLabel "metalaxyl"@nl ;
vcs:vmmParameterId "1024"^^xsd:int .
csc:WJQZZLQMLJPKQH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15292 ;
dbo:casNumber "1570-65-6" ;
dbo:formula "C7H6Cl2O" ;
dbo:inchi "InChI=1S/C7H6Cl2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3" ;
dbo:iupacName "2,4-Dichloro-6-methylphenol"@en ;
dbo:pubchem "15292"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1O)Cl)Cl" ;
dbp:inchikey "WJQZZLQMLJPKQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "46DCl2C1yFol" ;
skos:prefLabel "4,6-dichloor-2-methylfenol"@nl .
csc:NTSLROIKFLNUIJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7728 ;
dbo:casNumber "104-90-5" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3" ;
dbo:iupacName "5-Ethyl-2-methylpyridine"@en ;
dbo:pubchem "7728"^^xsd:int ;
dbo:smiles "CCC1=CN=C(C=C1)C" ;
dbp:inchikey "NTSLROIKFLNUIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC2yprdne" ;
skos:prefLabel "methylethylpyridine"@nl .
csc:YEDUAINPPJYDJZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13625 ;
dbo:casNumber "60362-05-2" , "934-34-9" , "92353-21-4" , "4464-59-9" ;
dbo:formula "C7H5NOS" ;
dbo:inchi "InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)" ;
dbo:iupacName "3H-1,3-benzothiazol-2-one"@en ;
dbo:pubchem "13625"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)NC(=O)S2" ;
dbp:inchikey "YEDUAINPPJYDJZ-UHFFFAOYSA-N" ;
skos:altLabel "2-hydroxybenzothiazol"@nl ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxbenztazl" ;
skos:prefLabel "hydroxybenzothiazole"@nl .
csc:ZVZQKNVMDKSGGF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13346 ;
dbo:casNumber "867-27-6" ;
dbo:formula "C6H15O3PS2" ;
dbo:inchi "InChI=1S/C6H15O3PS2/c1-4-12-6-5-9-10(11,7-2)8-3/h4-6H2,1-3H3" ;
dbo:iupacName "2-ethylsulfanylethoxy-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "13346"^^xsd:int ;
dbo:smiles "CCSCCOP(=S)(OC)OC" ;
dbp:inchikey "ZVZQKNVMDKSGGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003384 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "demeton-o-methyl"@nl .
csc:HAWJXYBZNNRMNO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:47759 ;
dbo:casNumber "78320-89-5" , "65907-30-4" ;
dbo:formula "C18H26N2O5S" ;
dbo:inchi "InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3" ;
dbo:iupacName "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(butoxycarbonyl-methylamino)sulfanyl-N-methylcarbamate"@en ;
dbo:pubchem "47759"^^xsd:int ;
dbo:smiles "CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" ;
dbp:inchikey "HAWJXYBZNNRMNO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "furtocb" ;
skos:prefLabel "furathiocarb"@nl .
csc:XQZXYNRDCRIARQ-LURJTMIESA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65492 ;
dbo:casNumber "60166-93-0" ;
dbo:formula "C17H22I3N3O8" ;
dbo:inchi "InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1" ;
dbo:iupacName "N,N'-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "65492"^^xsd:int ;
dbo:smiles "CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O" ;
dbp:inchikey "XQZXYNRDCRIARQ-LURJTMIESA-N" ;
skos:altLabel "jopamidol"@nl ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jopmdl" ;
skos:prefLabel "iopamidol"@nl .
csc:JFALSRSLKYAFGM-AHCXROLUSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61704 ;
dbo:casNumber "13966-29-5" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U/i1-4" ;
dbo:iupacName "uranium-234"@en ;
dbo:pubchem "61704"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "JFALSRSLKYAFGM-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U234" ;
skos:prefLabel "uranium 234"@nl .
csc:WDCYWAQPCXBPJA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7452 ;
dbo:casNumber "99-65-0" ;
dbo:formula "C6H4N2O4" ;
dbo:inchi "InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H" ;
dbo:iupacName "1,3-Dinitrobenzene"@en ;
dbo:pubchem "7452"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "WDCYWAQPCXBPJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DNO2Ben" ;
skos:prefLabel "1,3-dinitrobenzeen"@nl .
csc:ICKAEAFPESRWOT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:101650 ;
dbo:casNumber "646-83-3" ;
dbo:formula "C8HF15O3S" ;
dbo:inchi "InChI=1S/C8HF15O3S/c9-1(4(14,15)8(21,22)23)2(10,11)5(16,17)7(20,27(24,25)26)6(18,19)3(1,12)13/h(H,24,25,26)" ;
dbo:iupacName "1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonic acid"@en ;
dbo:pubchem "101650"^^xsd:int ;
dbo:smiles "C1(C(C(C(C(C1(F)F)(F)F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)F" ;
dbp:inchikey "ICKAEAFPESRWOT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004485 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFECHS" ;
skos:prefLabel "perfluor-4-ethylcyclohexaansulfonzuur"@nl .
csc:RWLALWYNXFYRGW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7211 ;
dbo:casNumber "1321-34-2" , "94-96-2" ;
dbo:formula "C8H18O2" ;
dbo:inchi "InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3" ;
dbo:iupacName "2-Ethylhexane-1,3-diol"@en ;
dbo:pubchem "7211"^^xsd:int ;
dbo:smiles "CCCC(C(CC)CO)O" ;
dbp:inchikey "RWLALWYNXFYRGW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yC6aDol" ;
skos:prefLabel "ethylhexaandiol"@nl .
csc:QPPBRPIAZZHUNT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5325 ;
dbo:casNumber "127-79-7" , "99482-27-6" ;
dbo:formula "C11H12N4O2S" ;
dbo:inchi "InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)" ;
dbo:iupacName "4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide"@en ;
dbo:pubchem "5325"^^xsd:int ;
dbo:smiles "CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "QPPBRPIAZZHUNT-UHFFFAOYSA-N" ;
skos:altLabel "sulfamerazin"@nl ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfmrzn" ;
skos:prefLabel "sulfamerazine"@nl .
csc:HMMGMWAXVFQUOA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11169 ;
dbo:casNumber "104986-37-0" , "83874-62-8" , "556-67-2" ;
dbo:formula "C8H24O4Si4" ;
dbo:inchi "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" ;
dbo:iupacName "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane"@en ;
dbo:pubchem "11169"^^xsd:int ;
dbo:smiles "C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C" ;
dbp:inchikey "HMMGMWAXVFQUOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004445 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OcC1yccT4slx" ;
skos:prefLabel "octamethylcyclotetrasiloxaan"@nl .
csc:ZROGCHDPRZRKTI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:66911 ;
dbo:casNumber "104-36-9" ;
dbo:formula "C14H22O2" ;
dbo:inchi "InChI=1S/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" ;
dbo:iupacName "1,4-Dibutoxybenzene"@en ;
dbo:pubchem "66911"^^xsd:int ;
dbo:smiles "CCCCOC1=CC=C(C=C1)OCCCC" ;
dbp:inchikey "ZROGCHDPRZRKTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC4oxBen" ;
skos:prefLabel "1,4-dibutoxybenzeen"@nl .
csc:VXPLXMJHHKHSOA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24685 ;
dbo:casNumber "122-42-9" ;
dbo:formula "C10H13NO2" ;
dbo:inchi "InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)" ;
dbo:iupacName "propan-2-yl N-phenylcarbamate"@en ;
dbo:pubchem "24685"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)NC1=CC=CC=C1" ;
dbp:inchikey "VXPLXMJHHKHSOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "profm" ;
skos:prefLabel "profam"@nl .
csc:AJDIZQLSFPQPEY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6428 ;
dbo:casNumber "57762-34-2" , "76-13-1" , "39349-94-5" , "59948-56-0" , "56996-61-3" ;
dbo:formula "C2Cl3F3" ;
dbo:inchi "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" ;
dbo:iupacName "1,1,2-Trichloro-1,2,2-trifluoroethane"@en ;
dbo:pubchem "6428"^^xsd:int ;
dbo:smiles "C(C(F)(Cl)Cl)(F)(F)Cl" ;
dbp:inchikey "AJDIZQLSFPQPEY-UHFFFAOYSA-N" ;
skos:altLabel "1,1,2-trichloortrifluor-ethaan"@nl , "1,1,2-trichloor-1,2,2-trifluorethaan"@nl ;
skos:broader csc:CHEMONTID_0004521 ;
skos:exactMatch wise:CAS_76-13-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK113" ;
skos:prefLabel "1,1,2-trichloortrifluorethaan"@nl ;
vcs:vmmParameterId "502"^^xsd:int .
csc:YPCALTGLHFLNGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32597 ;
dbo:casNumber "24691-76-7" ;
dbo:formula "C13H15NO2" ;
dbo:inchi "InChI=1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)" ;
dbo:iupacName "2-methyl-N-phenyl-5,6-dihydro-4H-pyran-3-carboxamide"@en ;
dbo:pubchem "32597"^^xsd:int ;
dbo:smiles "CC1=C(CCCO1)C(=O)NC2=CC=CC=C2" ;
dbp:inchikey "YPCALTGLHFLNGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrcbld" ;
skos:prefLabel "pyracarbolid"@nl .
csc:CURLTUGMZLYLDI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II (D1, definities)"@nl , "VLAR III (D3, Art. 3.6.2.6.1) (CO2-gehalte'"@nl ;
rdfs:seeAlso compound:280 ;
dbo:casNumber "39310-68-4" , "122427-25-2" , "18923-20-1" , "12181-60-1" , "85540-96-1" , "34496-91-8" , "124-38-9" ;
dbo:formula "CO2" ;
dbo:inchi "InChI=1S/CO2/c2-1-3" ;
dbo:iupacName "carbon dioxide"@en ;
dbo:pubchem "280"^^xsd:int ;
dbo:smiles "C(=O)=O" ;
dbp:inchikey "CURLTUGMZLYLDI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "kooldioxide"@nl , "koolstofdioxide (co2)"@nl ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CO2" ;
skos:prefLabel "koolstofdioxide (CO2)"@nl .
csc:NDSBDLSWTGLNQA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18617 ;
dbo:casNumber "3252-43-5" ;
dbo:formula "C2HBr2N" ;
dbo:inchi "InChI=1S/C2HBr2N/c3-2(4)1-5/h2H" ;
dbo:iupacName "2,2-dibromoacetonitrile"@en ;
dbo:pubchem "18617"^^xsd:int ;
dbo:smiles "C(#N)C(Br)Br" ;
dbp:inchikey "NDSBDLSWTGLNQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:exactMatch wise:CAS_3252-43-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBractntl" ;
skos:prefLabel "dibroomacetonitril"@nl ;
vcs:vmmParameterId "1311"^^xsd:int .
csc:XJKSTNDFUHDPQJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7115 ;
dbo:casNumber "75831-65-1" , "26140-60-3" , "92-94-4" , "94363-13-0" ;
dbo:formula "C18H14" ;
dbo:inchi "InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H" ;
dbo:iupacName "1,4-di(phenyl)benzene"@en ;
dbo:pubchem "7115"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3" ;
dbp:inchikey "XJKSTNDFUHDPQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002126 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pTFy" ;
skos:prefLabel "p-terfenyl"@nl .
csc:SMWDFEZZVXVKRB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7047 ;
dbo:casNumber "91-22-5" , "20214-07-7" ;
dbo:formula "C9H7N" ;
dbo:inchi "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" ;
dbo:iupacName "Quinoline"@en ;
dbo:pubchem "7047"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=N2" ;
dbp:inchikey "SMWDFEZZVXVKRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinlne" ;
skos:prefLabel "quinoline"@nl .
csc:LXQXZNRPTYVCNG-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104726 ;
dbo:casNumber "14596-10-2" , "86954-36-1" ;
dbo:formula "Am" ;
dbo:inchi "InChI=1S/Am/i1-2" ;
dbo:iupacName "americium-241"@en ;
dbo:pubchem "104726"^^xsd:int ;
dbo:smiles "[Am]" ;
dbp:inchikey "LXQXZNRPTYVCNG-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Am241" ;
skos:prefLabel "americium 241"@nl .
csc:PXGOKWXKJXAPGV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24524 ;
dbo:casNumber "7782-41-4" , "28077-97-6" ;
dbo:formula "F2" ;
dbo:inchi "InChI=1S/F2/c1-2" ;
dbo:iupacName "molecular fluorine"@en ;
dbo:pubchem "24524"^^xsd:int ;
dbo:smiles "FF" ;
dbp:inchikey "PXGOKWXKJXAPGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000432 ;
skos:exactMatch wise:CAS_7782-41-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "F2" ;
skos:prefLabel "difluor"@nl ;
vcs:vmmParameterId "499"^^xsd:int .
csc:OIHDCDZZRDGEIB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:291309 ;
dbo:casNumber "55282-14-9" ;
dbo:formula "C26H54" ;
dbo:inchi "InChI=1S/C26H54/c1-4-7-10-12-14-15-16-17-18-20-22-25-26(23-9-6-3)24-21-19-13-11-8-5-2/h26H,4-25H2,1-3H3" ;
dbo:iupacName "9-butyldocosane"@en ;
dbo:pubchem "291309"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC(CCCC)CCCCCCCC" ;
dbp:inchikey "OIHDCDZZRDGEIB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9C4yC22a" ;
skos:prefLabel "9-butyldocosaan"@nl .
csc:AYVZXDFCFQSWJD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:116529 ;
dbo:casNumber "64063-37-2" ;
dbo:formula "C7H7Cl2N" ;
dbo:inchi "InChI=1S/C7H7Cl2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3" ;
dbo:iupacName "2,6-Dichloro-3-methylaniline"@en ;
dbo:pubchem "116529"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C=C1)Cl)N)Cl" ;
dbp:inchikey "AYVZXDFCFQSWJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DCl3C1yAn" ;
skos:prefLabel "2,6-dichloor-3-methylaniline"@nl .
csc:CXZGQIAOTKWCDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:75921 ;
dbo:casNumber "2706-90-3" ;
dbo:formula "C5HF9O2" ;
dbo:inchi "InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid"@en ;
dbo:pubchem "75921"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "CXZGQIAOTKWCDB-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-pentaanzuur"@nl , "perfluor-n-pentaanzuur (pfpea)"@nl , "perfluorpentaanzuur (pfpea)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFPA" , "PFPeA" ;
skos:prefLabel "perfluorpentaanzuur"@nl .
csc:AMRQXHFXNZFDCH-VIFPVBQESA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:443067 ;
dbo:casNumber "16118-49-3" ;
dbo:formula "C12H16N2O3" ;
dbo:inchi "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1" ;
dbo:iupacName "[(2S)-1-ethylamino-1-oxopropan-2-yl] N-phenylcarbamate"@en ;
dbo:pubchem "443067"^^xsd:int ;
dbo:smiles "CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1" ;
dbp:inchikey "AMRQXHFXNZFDCH-VIFPVBQESA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:exactMatch wise:CAS_16118-49-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbtAd" ;
skos:prefLabel "carbetamide"@nl ;
vcs:vmmParameterId "1390"^^xsd:int .
csc:HQUQLFOMPYWACS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8295 ;
dbo:casNumber "115-96-8" , "68411-66-5" , "21343-84-0" ;
dbo:formula "C6H12Cl3O4P" ;
dbo:inchi "InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2" ;
dbo:iupacName "['Tris(2-chloroethyl) phosphate', 'tris(2-chloroethoxy)-hydroxyphosphanium']"@en ;
dbo:pubchem "8295"^^xsd:int ;
dbo:smiles "C(CCl)OP(=O)(OCCCl)OCCCl" ;
dbp:inchikey "HQUQLFOMPYWACS-UHFFFAOYSA-N" ;
skos:altLabel "tris-(2-chloorethyl)-fosfaat"@nl ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T2ClC2yPO4" ;
skos:prefLabel "tri(2-chloorethyl)fosfaat"@nl .
csc:VLJSLTNSFSOYQR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12059 ;
dbo:casNumber "618-45-1" , "90480-88-9" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3" ;
dbo:iupacName "3-propan-2-ylphenol"@en ;
dbo:pubchem "12059"^^xsd:int ;
dbo:smiles "CC(C)C1=CC(=CC=C1)O" ;
dbp:inchikey "VLJSLTNSFSOYQR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3iC3yFol" ;
skos:prefLabel "3-isopropylfenol"@nl .
csc:GUTLYIVDDKVIGB-BJUDXGSMSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104844 ;
dbo:casNumber "13981-38-9" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co/i1-1" ;
dbo:iupacName "cobalt-58"@en ;
dbo:pubchem "104844"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "GUTLYIVDDKVIGB-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co58" ;
skos:prefLabel "kobalt 58"@nl .
csc:MKUMTCOTMQPYTQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62506 ;
dbo:casNumber "24019-05-4" ;
dbo:formula "C19H12Cl4N2O5S" ;
dbo:inchi "InChI=1S/C19H12Cl4N2O5S/c20-10-1-5-16(30-17-6-2-11(21)8-18(17)31(27,28)29)15(7-10)25-19(26)24-12-3-4-13(22)14(23)9-12/h1-9H,(H2,24,25,26)(H,27,28,29)" ;
dbo:iupacName "5-chloro-2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]benzenesulfonic acid"@en ;
dbo:pubchem "62506"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1NC(=O)NC2=C(C=CC(=C2)Cl)OC3=C(C=C(C=C3)Cl)S(=O)(=O)O)Cl)Cl" ;
dbp:inchikey "MKUMTCOTMQPYTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulcfrn" ;
skos:prefLabel "sulcofuron"@nl .
csc:FFQQCJGNKKIRMD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26181 ;
dbo:casNumber "13683-89-1" ;
dbo:formula "C8H9NO3" ;
dbo:inchi "InChI=1S/C8H9NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)" ;
dbo:iupacName "methyl N-(3-hydroxyphenyl)carbamate"@en ;
dbo:pubchem "26181"^^xsd:int ;
dbo:smiles "COC(=O)NC1=CC(=CC=C1)O" ;
dbp:inchikey "FFQQCJGNKKIRMD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MHPC" ;
skos:prefLabel "methyl-3-hydroxyfenylcarbamaat"@nl .
csc:UBOXGVDOUJQMTN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6574 ;
dbo:casNumber "79-00-5" ;
dbo:formula "C2H3Cl3" ;
dbo:inchi "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" ;
dbo:iupacName "1,1,2-TRICHLOROETHANE"@en ;
dbo:pubchem "6574"^^xsd:int ;
dbo:smiles "C(C(Cl)Cl)Cl" ;
dbp:inchikey "UBOXGVDOUJQMTN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_002 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_79-00-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "112TClC2a" ;
skos:prefLabel "1,1,2-trichloorethaan"@nl ;
vcs:vmmParameterId "310"^^xsd:int .
csc:AQPHBYQUCKHJLT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26164 ;
dbo:casNumber "13654-09-6" , "39282-95-6" ;
dbo:formula "C12Br10" ;
dbo:inchi "InChI=1S/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenyl)benzene"@en ;
dbo:pubchem "26164"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "AQPHBYQUCKHJLT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB209" ;
skos:prefLabel "2,2',3,3',4,4',5,5',6,6'-decabroombifenyl"@nl .
csc:OTFDPNXIVHBTKW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39855 ;
dbo:casNumber "51012-32-9" ;
dbo:formula "C15H25ClN2O4S" ;
dbo:inchi "InChI=1S/C15H24N2O4S.ClH/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3;/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18);1H" ;
dbo:iupacName "diethyl-[2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]ethyl]azanium chloride"@en ;
dbo:pubchem "39855"^^xsd:int ;
dbo:smiles "CC[NH+](CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC.[Cl-]" ;
dbp:inchikey "OTFDPNXIVHBTKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000178 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tiapde" ;
skos:prefLabel "tiapride"@nl .
csc:IDCBOTIENDVCBQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7873 ;
dbo:casNumber "107-49-3" ;
dbo:formula "C8H20O7P2" ;
dbo:inchi "InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3" ;
dbo:iupacName "diethoxyphosphoryl diethyl phosphate"@en ;
dbo:pubchem "7873"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OP(=O)(OCC)OCC" ;
dbp:inchikey "IDCBOTIENDVCBQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001804 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TEPP" ;
skos:prefLabel "tetraethylpyrofosfaat"@nl .
csc:UYJUZNLFJAWNEZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19756 ;
dbo:casNumber "3878-19-1" ;
dbo:formula "C11H8N2O" ;
dbo:inchi "InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" ;
dbo:iupacName "2-furan-2-yl-1H-benzimidazole"@en ;
dbo:pubchem "19756"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3" ;
dbp:inchikey "UYJUZNLFJAWNEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fubrdzl" ;
skos:prefLabel "fuberidazool"@nl .
csc:NIWWFAAXEMMFMS-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:167319 ;
dbo:casNumber "15621-76-8" ;
dbo:formula "Cm" ;
dbo:inchi "InChI=1S/Cm/i1-2" ;
dbo:iupacName "curium-245"@en ;
dbo:pubchem "167319"^^xsd:int ;
dbo:smiles "[Cm]" ;
dbp:inchikey "NIWWFAAXEMMFMS-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cm245" ;
skos:prefLabel "curium 245"@nl .
csc:JJPSZKIOGBRMHK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13414 ;
dbo:casNumber "877-43-0" ;
dbo:formula "C11H11N" ;
dbo:inchi "InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3" ;
dbo:iupacName "2,6-Dimethylquinoline"@en ;
dbo:pubchem "13414"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)N=C(C=C2)C" ;
dbp:inchikey "JJPSZKIOGBRMHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1yqnlne" ;
skos:prefLabel "2,6-dimethylquinoline"@nl .
csc:RZVAJINKPMORJF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1983 ;
dbo:casNumber "8055-08-1" , "103-90-2" ;
dbo:formula "C8H9NO2" ;
dbo:inchi "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)" ;
dbo:iupacName "N-(4-Hydroxyphenyl)acetamide"@en ;
dbo:pubchem "1983"^^xsd:int ;
dbo:smiles "CC(=O)NC1=CC=C(C=C1)O" ;
dbp:inchikey "RZVAJINKPMORJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004646 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "parctml" ;
skos:prefLabel "paracetamol"@nl .
csc:UATJOMSPNYCXIX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7434 ;
dbo:casNumber "99-35-4" ;
dbo:formula "C6H3N3O6" ;
dbo:inchi "InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H" ;
dbo:iupacName "1,3,5-Trinitrobenzene"@en ;
dbo:pubchem "7434"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "UATJOMSPNYCXIX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TNO2Ben" ;
skos:prefLabel "1,3,5-trinitrobenzeen"@nl .
csc:WRPIRSINYZBGPK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3391107 ;
dbo:casNumber "124495-18-7" ;
dbo:formula "C15H8Cl2FNO" ;
dbo:inchi "InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H" ;
dbo:iupacName "5,7-dichloro-4-(4-fluorophenoxy)quinoline"@en ;
dbo:pubchem "3391107"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F" ;
dbp:inchikey "WRPIRSINYZBGPK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002463 ;
skos:exactMatch wise:CAS_124495-18-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinoxfn" ;
skos:prefLabel "quinoxyfen"@nl ;
vcs:vmmParameterId "1038"^^xsd:int .
csc:SERZNTMEVJWJSA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40919 ;
dbo:casNumber "53894-31-8" ;
dbo:formula "C11H16O2" ;
dbo:inchi "InChI=1S/C11H16O2/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5-7,12H,1-4H3" ;
dbo:iupacName "4-tert-butyl-2-methoxyphenol"@en ;
dbo:pubchem "40919"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)O)OC" ;
dbp:inchikey "SERZNTMEVJWJSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000190 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DC1yC2y2C1" ;
skos:prefLabel "1,1-dimethylethyl-2-methoxyfenol"@nl .
csc:JBIJLHTVPXGSAM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7057 ;
dbo:casNumber "91-59-8" ;
dbo:formula "C10H9N" ;
dbo:inchi "InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2" ;
dbo:iupacName "naphthalen-2-amine"@en ;
dbo:pubchem "7057"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)N" ;
dbp:inchikey "JBIJLHTVPXGSAM-UHFFFAOYSA-N" ;
skos:altLabel "2-aminonaftaleen"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2AoNaf" ;
skos:prefLabel "2-naftylamine"@nl .
csc:LHJGJYXLEPZJPM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7271 ;
dbo:casNumber "95-95-4" , "77001-45-7" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H" ;
dbo:iupacName "2,4,5-Trichlorophenol"@en ;
dbo:pubchem "7271"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)O" ;
dbp:inchikey "LHJGJYXLEPZJPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_95-95-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "245TClFol" ;
skos:prefLabel "2,4,5-trichloorfenol"@nl ;
vcs:vmmParameterId "344"^^xsd:int .
csc:YMTINGFKWWXKFG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3339 ;
dbo:casNumber "49562-28-9" ;
dbo:formula "C20H21ClO4" ;
dbo:inchi "InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3" ;
dbo:iupacName "propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate"@en ;
dbo:pubchem "3339"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "YMTINGFKWWXKFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenfbt" ;
skos:prefLabel "fenofibraat"@nl .
csc:WHXSMMKQMYFTQS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3028194 ;
dbo:casNumber "7439-93-2" , "64975-42-4" , "159577-72-7" ;
dbo:formula "Li" ;
dbo:inchi "InChI=1S/Li" ;
dbo:iupacName "LITHIUM"@en ;
dbo:pubchem "3028194"^^xsd:int ;
dbo:smiles "[Li]" ;
dbp:inchikey "WHXSMMKQMYFTQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:exactMatch wise:CAS_7439-93-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Li" ;
skos:prefLabel "lithium"@nl ;
vcs:vmmParameterId "689"^^xsd:int .
csc:MFYSYFVPBJMHGN-ZPOLXVRWSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:222786 ;
dbo:casNumber "53-06-5" ;
dbo:formula "C21H28O5" ;
dbo:inchi "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione"@en ;
dbo:pubchem "222786"^^xsd:int ;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C" ;
dbp:inchikey "MFYSYFVPBJMHGN-ZPOLXVRWSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cortsn" ;
skos:prefLabel "cortison"@nl .
csc:CBCIHIVRDWLAME-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8576 ;
dbo:casNumber "131-73-7" ;
dbo:formula "C12H5N7O12" ;
dbo:inchi "InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H" ;
dbo:iupacName "2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline"@en ;
dbo:pubchem "8576"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "CBCIHIVRDWLAME-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DpicAe" ;
skos:prefLabel "dipicrylamine"@nl .
csc:QYSXYAURTRCDJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6537503 ;
dbo:casNumber "25265-71-8" ;
dbo:formula "C6H14O3" ;
dbo:inchi "InChI=1S/C6H14O3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "1-(1-hydroxypropoxy)propan-1-ol"@en ;
dbo:pubchem "6537503"^^xsd:int ;
dbo:smiles "CCC(O)OC(CC)O" ;
dbp:inchikey "QYSXYAURTRCDJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001092 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC3eygcl" ;
skos:prefLabel "dipropyleenglycol"@nl .
csc:KBOPZPXVLCULAV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4075 ;
dbo:casNumber "89-57-6" , "61513-32-4" ;
dbo:formula "C7H7NO3" ;
dbo:inchi "InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)" ;
dbo:iupacName "5-Amino-2-hydroxybenzoic acid"@en ;
dbo:pubchem "4075"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)C(=O)O)O" ;
dbp:inchikey "KBOPZPXVLCULAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002948 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "meslzne" ;
skos:prefLabel "mesalazine"@nl .
csc:ALEROMXYYSQFLX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8970 ;
dbo:casNumber "146-50-9" , "71850-09-4" , "68515-50-4" ;
dbo:formula "C20H30O4" ;
dbo:inchi "InChI=1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3" ;
dbo:iupacName "bis(4-methylpentyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8970"^^xsd:int ;
dbo:smiles "CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C" ;
dbp:inchikey "ALEROMXYYSQFLX-UHFFFAOYSA-N" ;
skos:altLabel "di-isohexylftalaat (mix van isomeren)"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "di-isohexylftalaat"@nl .
csc:DGLIBALSRMUQDD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9273 ;
dbo:casNumber "298-03-3" ;
dbo:formula "C8H19O3PS2" ;
dbo:inchi "InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "9273"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OCCSCC" ;
dbp:inchikey "DGLIBALSRMUQDD-UHFFFAOYSA-N" ;
skos:altLabel "demeton-O"@nl ;
skos:broader csc:CHEMONTID_0003384 ;
skos:exactMatch wise:CAS_298-03-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demtnO" ;
skos:prefLabel "demeton-o"@nl ;
vcs:vmmParameterId "395"^^xsd:int .
csc:WJQOZHYUIDYNHM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6923 ;
dbo:casNumber "27178-34-3" , "88-18-6" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3" ;
dbo:iupacName "2-tert-Butylphenol"@en ;
dbo:pubchem "6923"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=CC=C1O" ;
dbp:inchikey "WJQOZHYUIDYNHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ttC4yFol" ;
skos:prefLabel "2-tert-butylfenol"@nl .
csc:MXWJVTOOROXGIU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2256 ;
dbo:casNumber "93616-39-8" , "12797-72-7" , "11121-31-6" , "69771-31-9" , "39400-72-1" , "1912-24-9" , "12040-45-8" ;
dbo:formula "C8H14ClN5" ;
dbo:inchi "InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)" ;
dbo:iupacName "6-chloro-N'-ethyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "2256"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)NC(C)C" ;
dbp:inchikey "MXWJVTOOROXGIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004721 ;
skos:exactMatch wise:CAS_1912-24-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "atzne" ;
skos:prefLabel "atrazine"@nl ;
vcs:vmmParameterId "268"^^xsd:int .
csc:LXCFILQKKLGQFO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7456 ;
dbo:casNumber "99-76-3" ;
dbo:formula "C8H8O3" ;
dbo:inchi "InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3" ;
dbo:iupacName "Methyl 4-hydroxybenzoate"@en ;
dbo:pubchem "7456"^^xsd:int ;
dbo:smiles "COC(=O)C1=CC=C(C=C1)O" ;
dbp:inchikey "LXCFILQKKLGQFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y4HOxbzat" ;
skos:prefLabel "methyl-4-hydroxybenzoaat"@nl .
csc:RBNIGDFIUWJJEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40521 ;
dbo:casNumber "52756-25-9" ;
dbo:formula "C17H15ClFNO3" ;
dbo:inchi "InChI=1S/C17H15ClFNO3/c1-11(17(22)23-2)20(13-8-9-15(19)14(18)10-13)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3" ;
dbo:iupacName "methyl 2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate"@en ;
dbo:pubchem "40521"^^xsd:int ;
dbo:smiles "CC(C(=O)OC)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "RBNIGDFIUWJJEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yfpp" ;
skos:prefLabel "methylflamprop"@nl .
csc:KUAZQDVKQLNFPE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5455 ;
dbo:casNumber "56645-31-9" , "39456-80-9" , "66173-72-6" , "137-26-8" , "93196-73-7" , "12680-62-5" , "12680-07-8" ;
dbo:formula "C6H12N2S4" ;
dbo:inchi "InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3" ;
dbo:iupacName "dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate"@en ;
dbo:pubchem "5455"^^xsd:int ;
dbo:smiles "CN(C)C(=S)SSC(=S)N(C)C" ;
dbp:inchikey "KUAZQDVKQLNFPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004791 ;
skos:exactMatch wise:CAS_137-26-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thirm" ;
skos:prefLabel "thiram"@nl ;
vcs:vmmParameterId "1473"^^xsd:int .
csc:AGOYDEPGAOXOCK-KCBOHYOISA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:84029 ;
dbo:casNumber "116836-41-0" , "81103-11-9" ;
dbo:formula "C38H69NO13" ;
dbo:inchi "InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1" ;
dbo:iupacName "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione"@en ;
dbo:pubchem "84029"^^xsd:int ;
dbo:smiles "CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O" ;
dbp:inchikey "AGOYDEPGAOXOCK-KCBOHYOISA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:exactMatch wise:CAS_81103-11-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clartmcne" ;
skos:prefLabel "claritromycine"@nl ;
vcs:vmmParameterId "1410"^^xsd:int .
csc:IPKKHRVROFYTEK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8561 ;
dbo:casNumber "131-18-0" ;
dbo:formula "C18H26O4" ;
dbo:inchi "InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3" ;
dbo:iupacName "dipentyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8561"^^xsd:int ;
dbo:smiles "CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC" ;
dbp:inchikey "IPKKHRVROFYTEK-UHFFFAOYSA-N" ;
skos:altLabel "di-n-pentylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_131-18-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC5yFt" ;
skos:prefLabel "dipentylftalaat"@nl ;
vcs:vmmParameterId "70"^^xsd:int .
csc:YLJLLELGHSWIDU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61898 ;
dbo:casNumber "1593-77-7" , "31717-87-0" ;
dbo:formula "C20H39NO3" ;
dbo:inchi "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" ;
dbo:iupacName "acetic acid; 4-cyclododecyl-2,6-dimethylmorpholine"@en ;
dbo:pubchem "61898"^^xsd:int ;
dbo:smiles "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" ;
dbp:inchikey "YLJLLELGHSWIDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dodmf" ;
skos:prefLabel "dodemorf"@nl .
csc:DHWRNDJOGMTCPB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91612 ;
dbo:casNumber "34205-21-5" ;
dbo:formula "C15H19ClN4O3" ;
dbo:inchi "InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)" ;
dbo:iupacName "3-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-3-chlorophenyl]-1,1-dimethylurea"@en ;
dbo:pubchem "91612"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C(C=C2)NC(=O)N(C)C)Cl" ;
dbp:inchikey "DHWRNDJOGMTCPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmfrn" ;
skos:prefLabel "dimefuron"@nl .
csc:YBUIAJZFOGJGLJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:107065 ;
dbo:casNumber "68039-35-0" , "32388-55-9" , "126239-49-4" ;
dbo:formula "C17H26O" ;
dbo:inchi "InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3" ;
dbo:iupacName "1-(2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl)ethanone"@en ;
dbo:pubchem "107065"^^xsd:int ;
dbo:smiles "CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)C" ;
dbp:inchikey "YBUIAJZFOGJGLJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ATCD" ;
skos:prefLabel "acetylcedreen"@nl .
csc:HAXBIWFMXWRORI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II (D2)"@nl ;
rdfs:seeAlso compound:9158 ;
dbo:casNumber "207-08-9" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H" ;
dbo:iupacName "Benzo[k]fluoranthene"@en ;
dbo:pubchem "9158"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C3C4=CC=CC5=C4C(=CC=C5)C3=CC2=C1" ;
dbp:inchikey "HAXBIWFMXWRORI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_207-08-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BkF" ;
skos:prefLabel "benzo(k)fluorantheen"@nl ;
vcs:vmmParameterId "1426"^^xsd:int , "424"^^xsd:int .
csc:CUUQUEAUUPYEKK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93012 ;
dbo:casNumber "5877-42-9" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3" ;
dbo:iupacName "4-Ethyloct-1-yn-3-ol"@en ;
dbo:pubchem "93012"^^xsd:int ;
dbo:smiles "CCCCC(CC)C(C#C)O" ;
dbp:inchikey "CUUQUEAUUPYEKK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2y1ot3ol" ;
skos:prefLabel "4-ethyl-1-octyn-3-ol"@nl .
csc:JYHCQVWYCGHXGP-BPPSBWQWSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280962 ;
dbo:casNumber "60-54-8" ;
dbo:formula "C22H24N2O8" ;
dbo:inchi "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3/b20-14-/t9-,10-,15-,21+,22-/m0/s1" ;
dbo:iupacName "['(2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione', '(4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione']"@en ;
dbo:pubchem "5280962"^^xsd:int ;
dbo:smiles "CC1(C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O" ;
dbp:inchikey "JYHCQVWYCGHXGP-BPPSBWQWSA-N" ;
skos:broader csc:CHEMONTID_0000181 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4ccne" ;
skos:prefLabel "tetracycline"@nl .
csc:DLAPIMGBBDILHJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19577 ;
dbo:casNumber "3761-41-9" ;
dbo:formula "C10H15O4PS2" ;
dbo:inchi "InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3" ;
dbo:iupacName "dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "19577"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C" ;
dbp:inchikey "DLAPIMGBBDILHJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentoSO" ;
skos:prefLabel "fenthion-sulfoxide"@nl .
csc:FAXWFCTVSHEODL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12005 ;
dbo:casNumber "615-58-7" ;
dbo:formula "C6H4Br2O" ;
dbo:inchi "InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" ;
dbo:iupacName "2,4-Dibromophenol"@en ;
dbo:pubchem "12005"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)Br)O" ;
dbp:inchikey "FAXWFCTVSHEODL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002769 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DBrFol" ;
skos:prefLabel "2,4-dibroomfenol"@nl .
csc:CYESCLHCWJKRKM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16854 ;
dbo:casNumber "2327-02-8" ;
dbo:formula "C7H6Cl2N2O" ;
dbo:inchi "InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)" ;
dbo:iupacName "(3,4-DICHLOROPHENYL)UREA"@en ;
dbo:pubchem "16854"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1NC(=O)N)Cl)Cl" ;
dbp:inchikey "CYESCLHCWJKRKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "134DClFyurum" ;
skos:prefLabel "1-(3,4-dichloorfenyl)ureum"@nl .
csc:BOUGCJDAQLKBQH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17822 ;
dbo:casNumber "2837-89-0" ;
dbo:formula "C2HClF4" ;
dbo:inchi "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" ;
dbo:iupacName "2-CHLORO-1,1,1,2-TETRAFLUOROETHANE"@en ;
dbo:pubchem "17822"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(F)Cl" ;
dbp:inchikey "BOUGCJDAQLKBQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK124" ;
skos:prefLabel "2-chloor-1,1,1,2-tetrafluorethaan"@nl .
csc:QDRXWCAVUNHOGA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93315 ;
dbo:casNumber "57960-19-7" , "191490-28-5" ;
dbo:formula "C24H32O4" ;
dbo:inchi "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" ;
dbo:iupacName "(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate"@en ;
dbo:pubchem "93315"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C" ;
dbp:inchikey "QDRXWCAVUNHOGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000153 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acqncl" ;
skos:prefLabel "acequinocyl"@nl .
csc:IYIKLHRQXLHMJQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2157 ;
dbo:casNumber "1951-25-3" ;
dbo:formula "C25H29I2NO3" ;
dbo:inchi "InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3" ;
dbo:iupacName "(2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone"@en ;
dbo:pubchem "2157"^^xsd:int ;
dbo:smiles "CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I" ;
dbp:inchikey "IYIKLHRQXLHMJQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004297 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amodne" ;
skos:prefLabel "amiodarone"@nl .
csc:XOGPDSATLSAZEK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8341 ;
dbo:casNumber "117-79-3" ;
dbo:formula "C14H9NO2" ;
dbo:inchi "InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2" ;
dbo:iupacName "2-aminoanthracene-9,10-dione"@en ;
dbo:pubchem "8341"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N" ;
dbp:inchikey "XOGPDSATLSAZEK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003952 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Aoatcnn" ;
skos:prefLabel "2-aminoanthrachinon"@nl .
csc:QDDHZFKCHWYXJF-PCLMCNLLSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5463942 ;
dbo:casNumber "24390-14-5" , "62149-53-5" ;
dbo:formula "C46H58Cl2N4O18" ;
dbo:inchi "InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;3H,2H2,1H3;2*1H;1H2/b2*21-13+;;;;/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1" ;
dbo:iupacName "(2E,4S,4aR,5S,5aR,6R,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; ethanol; hydrate; dihydrochloride"@en ;
dbo:pubchem "5463942"^^xsd:int ;
dbo:smiles "CCO.CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.O.Cl.Cl" ;
dbp:inchikey "QDDHZFKCHWYXJF-PCLMCNLLSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "doxccnhct" ;
skos:prefLabel "doxycycline hyclaat"@nl .
csc:BJLRAKFWOUAROE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:98478 ;
dbo:casNumber "38621-99-7" , "2500-83-6" ;
dbo:formula "C12H16O2" ;
dbo:inchi "InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3" ;
dbo:iupacName "8-tricyclo[5.2.1.02,6]dec-4-enyl acetate"@en ;
dbo:pubchem "98478"^^xsd:int ;
dbo:smiles "CC(=O)OC1CC2CC1C3C2CC=C3" ;
dbp:inchikey "BJLRAKFWOUAROE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001549 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DDPA" ;
skos:prefLabel "verdyl acetaat"@nl .
csc:MBIPADCEHSKJDQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:28481 ;
dbo:casNumber "17334-55-3" ;
dbo:formula "C15H24" ;
dbo:inchi "InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3" ;
dbo:iupacName "1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene"@en ;
dbo:pubchem "28481"^^xsd:int ;
dbo:smiles "CC1CCC=C2C1(C3C(C3(C)C)CC2)C" ;
dbp:inchikey "MBIPADCEHSKJDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "calrn" ;
skos:prefLabel "calareen"@nl .
csc:UFBJCMHMOXMLKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1493 ;
dbo:casNumber "51-28-5" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H" ;
dbo:iupacName "2,4-Dinitrophenol"@en ;
dbo:pubchem "1493"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O" ;
dbp:inchikey "UFBJCMHMOXMLKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DNO2Fol" ;
skos:prefLabel "2,4-dinitrofenol"@nl .
csc:AKEJUJNQAAGONA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'SO3'"@nl , "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'"@nl , "VLAR II Art. 5.7.3.1 'zwaveltrioxide'"@nl ;
rdfs:seeAlso compound:24682 ;
dbo:casNumber "7446-11-9" , "12210-38-7" ;
dbo:formula "O3S" ;
dbo:inchi "InChI=1S/O3S/c1-4(2)3" ;
dbo:iupacName "SULFUR TRIOXIDE"@en ;
dbo:pubchem "24682"^^xsd:int ;
dbo:smiles "O=S(=O)=O" ;
dbp:inchikey "AKEJUJNQAAGONA-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_008 ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "zwaveltrioxide (SO3)"@nl .
csc:JJDFVIDVSCYKDS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:99068 ;
dbo:casNumber "78948-79-5" , "144975-27-9" , "7027-11-4" ;
dbo:formula "C10H15NO" ;
dbo:inchi "InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3" ;
dbo:iupacName "1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile"@en ;
dbo:pubchem "99068"^^xsd:int ;
dbo:smiles "CC1(CC(=O)CC(C1)(C)C#N)C" ;
dbp:inchikey "JJDFVIDVSCYKDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ifrntl" ;
skos:prefLabel "isoforon-nitril"@nl .
csc:HVZJRWJGKQPSFL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61247 ;
dbo:casNumber "994-05-8" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" ;
dbo:iupacName "2-Methoxy-2-methylbutane"@en ;
dbo:pubchem "61247"^^xsd:int ;
dbo:smiles "CCC(C)(C)OC" ;
dbp:inchikey "HVZJRWJGKQPSFL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ox2C1yC4a" ;
skos:prefLabel "2-methoxy-2-methylbutaan"@nl .
csc:AQIXEPGDORPWBJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11428 ;
dbo:casNumber "584-02-1" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "Pentan-3-ol"@en ;
dbo:pubchem "11428"^^xsd:int ;
dbo:smiles "CCC(CC)O" ;
dbp:inchikey "AQIXEPGDORPWBJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C5ol" ;
skos:prefLabel "3-pentanol"@nl .
csc:GFSTXYOTEVLASN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3085828 ;
dbo:casNumber "72573-82-1" ;
dbo:formula "C16H28GdN4O8+3" ;
dbo:inchi "InChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3" ;
dbo:iupacName "gadolinium(+3) cation; 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid"@en ;
dbo:pubchem "3085828"^^xsd:int ;
dbo:smiles "C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]" ;
dbp:inchikey "GFSTXYOTEVLASN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002966 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gadtzr" ;
skos:prefLabel "gadoteerzuur"@nl .
csc:IZNAUZVEFQFMON-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41562 ;
dbo:casNumber "55724-73-7" ;
dbo:formula "C8H16O3" ;
dbo:inchi "InChI=1S/C8H16O3/c1-2-3-6-11-7-4-5-8(9)10/h2-7H2,1H3,(H,9,10)" ;
dbo:iupacName "4-BUTOXYBUTANOIC ACID"@en ;
dbo:pubchem "41562"^^xsd:int ;
dbo:smiles "CCCCOCCCC(=O)O" ;
dbp:inchikey "IZNAUZVEFQFMON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000333 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C4oxC4azr" ;
skos:prefLabel "4-butoxybutaanzuur"@nl .
csc:XBRCDWHXULVEFB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91481 ;
dbo:casNumber "668-34-8" ;
dbo:formula "C18H15Sn+" ;
dbo:inchi "InChI=1S/3C6H5.Sn/c3*1-2-4-6-5-3-1;/h3*1-5H;/q;;;+1" ;
dbo:iupacName "triphenylstannanylium"@en ;
dbo:pubchem "91481"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "XBRCDWHXULVEFB-UHFFFAOYSA-N" ;
skos:altLabel "trifenyltin"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFySn" ;
skos:prefLabel "trifenyltin (kation)"@nl .
csc:FVUGZKDGWGKCFE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:108242 ;
dbo:casNumber "54464-57-2" , "166090-45-5" , "239809-44-0" ;
dbo:formula "C16H26O" ;
dbo:inchi "InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3" ;
dbo:iupacName "1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone"@en ;
dbo:pubchem "108242"^^xsd:int ;
dbo:smiles "CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C" ;
dbp:inchikey "FVUGZKDGWGKCFE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OTNE" ;
skos:prefLabel "amberonne"@nl .
csc:DZKXJUASMGQEMA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:18605 ;
dbo:casNumber "3234-85-3" ;
dbo:formula "C28H56O2" ;
dbo:inchi "InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3" ;
dbo:iupacName "Tetradecyl tetradecanoate"@en ;
dbo:pubchem "18605"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC" ;
dbp:inchikey "DZKXJUASMGQEMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003322 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C14azrC14yEs" ;
skos:prefLabel "tetradecaanzuur, tetradecylester"@nl .
csc:RXUSYFJGDZFVND-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9108 ;
dbo:casNumber "189-64-0" , "58615-36-4" ;
dbo:formula "C24H14" ;
dbo:inchi "InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H" ;
dbo:iupacName "hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene"@en ;
dbo:pubchem "9108"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6=CC=CC=C56)C=C3" ;
dbp:inchikey "RXUSYFJGDZFVND-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000316 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBahP" ;
skos:prefLabel "dibenzo(a,h)pyreen"@nl .
csc:HMNKTRSOROOSPP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12101 ;
dbo:casNumber "620-17-7" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3" ;
dbo:iupacName "3-Ethylphenol"@en ;
dbo:pubchem "12101"^^xsd:int ;
dbo:smiles "CCC1=CC(=CC=C1)O" ;
dbp:inchikey "HMNKTRSOROOSPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2yFol" ;
skos:prefLabel "3-ethylfenol"@nl .
csc:LAXBNTIAOJWAOP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:249266 ;
dbo:casNumber "27323-18-8" , "2051-60-7" ;
dbo:formula "C12H9Cl" ;
dbo:inchi "InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H" ;
dbo:iupacName "1-chloro-2-phenylbenzene"@en ;
dbo:pubchem "249266"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=C2Cl" ;
dbp:inchikey "LAXBNTIAOJWAOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB1" ;
skos:prefLabel "2-chloorbifenyl"@nl .
csc:VWQVUPCCIRVNHF-BJUDXGSMSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:105173 ;
dbo:casNumber "13982-36-0" ;
dbo:formula "Y" ;
dbo:inchi "InChI=1S/Y/i1-1" ;
dbo:iupacName "yttrium-88"@en ;
dbo:pubchem "105173"^^xsd:int ;
dbo:smiles "[Y]" ;
dbp:inchikey "VWQVUPCCIRVNHF-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Y88" ;
skos:prefLabel "yttrium 88"@nl .
csc:OBZIQQJJIKNWNO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91664 ;
dbo:casNumber "78617-09-1" , "57018-04-9" ;
dbo:formula "C9H11Cl2O3PS" ;
dbo:inchi "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" ;
dbo:iupacName "(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "91664"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl" ;
dbp:inchikey "OBZIQQJJIKNWNO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_57018-04-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tolcfsC1y" ;
skos:prefLabel "tolclofos-methyl"@nl ;
vcs:vmmParameterId "733"^^xsd:int .
csc:KBQHZAAAGSGFKK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23912 ;
dbo:casNumber "123943-90-8" , "7429-91-6" , "110123-47-2" ;
dbo:formula "Dy" ;
dbo:inchi "InChI=1S/Dy" ;
dbo:iupacName "DYSPROSIUM"@en ;
dbo:pubchem "23912"^^xsd:int ;
dbo:smiles "[Dy]" ;
dbp:inchikey "KBQHZAAAGSGFKK-UHFFFAOYSA-N" ;
skos:altLabel "Dysprosium"@nl ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dy" ;
skos:prefLabel "dysprosium"@nl .
csc:AFFLGGQVNFXPEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'"@nl ;
rdfs:seeAlso compound:13381 ;
dbo:casNumber "108778-38-7" , "25189-70-2" , "872-05-9" , "105054-87-3" , "68037-01-4" ;
dbo:formula "C10H20" ;
dbo:inchi "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" ;
dbo:iupacName "Dec-1-ene"@en ;
dbo:pubchem "13381"^^xsd:int ;
dbo:smiles "CCCCCCCCC=C" ;
dbp:inchikey "AFFLGGQVNFXPEV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_011 , co:LUC_IV_005 ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C10e" ;
skos:prefLabel "1-deceen"@nl .
csc:AMSPWOYQQAWRRM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6451057 ;
dbo:casNumber "220899-03-6" ;
dbo:formula "C19H21BrO5" ;
dbo:inchi "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" ;
dbo:iupacName "(3-bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone"@en ;
dbo:pubchem "6451057"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" ;
dbp:inchikey "AMSPWOYQQAWRRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metfnn" ;
skos:prefLabel "metrafenon"@nl .
csc:REHONNLQRWTIFF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:63090 ;
dbo:casNumber "57465-28-8" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H" ;
dbo:iupacName "1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "63090"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "REHONNLQRWTIFF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb 126"@nl , "3,3',4,4',5-pentachloorbifenyl (pcb126)"@nl , "3,3',4,4',5-pentachloorbifenyl"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_57465-28-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB126" ;
skos:prefLabel "PCB 126"@nl ;
vcs:vmmParameterId "1254"^^xsd:int .
csc:BULLHNJGPPOUOX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6571 ;
dbo:casNumber "78-95-5" ;
dbo:formula "C3H5ClO" ;
dbo:inchi "InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3" ;
dbo:iupacName "1-chloropropan-2-one"@en ;
dbo:pubchem "6571"^^xsd:int ;
dbo:smiles "CC(=O)CCl" ;
dbp:inchikey "BULLHNJGPPOUOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004809 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clactn" ;
skos:prefLabel "chlooraceton"@nl .
csc:VDKPSKAXYKUKMK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10642942 ;
dbo:casNumber "159381-10-9" ;
dbo:formula "C7H6F9NO4S" ;
dbo:inchi "InChI=1S/C7H6F9NO4S/c1-2(3(18)19)17-22(20,21)7(15,16)5(10,11)4(8,9)6(12,13)14/h2,17H,1H3,(H,18,19)" ;
dbo:iupacName "2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propanoic acid"@en ;
dbo:pubchem "10642942"^^xsd:int ;
dbo:smiles "CC(C(=O)O)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "VDKPSKAXYKUKMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MePFBSAA" ;
skos:prefLabel "N-methylperfluorbutaansulfonylamide azijnzuur"@nl .
csc:VWQVUPCCIRVNHF-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104964 ;
dbo:casNumber "14234-24-3" ;
dbo:formula "Y" ;
dbo:inchi "InChI=1S/Y/i1+2" ;
dbo:iupacName "yttrium-91"@en ;
dbo:pubchem "104964"^^xsd:int ;
dbo:smiles "[Y]" ;
dbp:inchikey "VWQVUPCCIRVNHF-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Y91" ;
skos:prefLabel "yttrium 91"@nl .
csc:RLIPQCDHACHPJW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:73844 ;
dbo:casNumber "1467-35-2" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,10H2,1-3H3" ;
dbo:iupacName "2,3,4-Trimethylaniline"@en ;
dbo:pubchem "73844"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C=C1)N)C)C" ;
dbp:inchikey "RLIPQCDHACHPJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "234TC1yAn" ;
skos:prefLabel "2,3,4-trimethylaniline"@nl .
csc:NDYULEPTCXJCJM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6399257 ;
dbo:casNumber "53404-60-7" ;
dbo:formula "C5H9N2NaS2" ;
dbo:inchi "InChI=1S/C5H9N2S2.Na/c1-6-3-7(2)5(8)9-4-6;/h4H,3H2,1-2H3;/q-1;+1" ;
dbo:iupacName "Sodium 3,5-dimethyl-1,3,5-thiadiazinane-2-thione"@en ;
dbo:pubchem "6399257"^^xsd:int ;
dbo:smiles "CN1CN(C(=S)S[CH-]1)C.[Na+]" ;
dbp:inchikey "NDYULEPTCXJCJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003094 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dazmNazt" ;
skos:prefLabel "dazomet natriumzout"@nl .
csc:WXTMDXOMEHJXQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3469 ;
dbo:casNumber "490-79-9" ;
dbo:formula "C7H6O4" ;
dbo:inchi "InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)" ;
dbo:iupacName "2,5-Dihydroxybenzoic acid"@en ;
dbo:pubchem "3469"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1O)C(=O)O)O" ;
dbp:inchikey "WXTMDXOMEHJXQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001248 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gentsnzr" ;
skos:prefLabel "gentisinezuur"@nl .
csc:UOAMTSKGCBMZTC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8268 ;
dbo:casNumber "115-32-2" ;
dbo:formula "C14H9Cl5O" ;
dbo:inchi "InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H" ;
dbo:iupacName "2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol"@en ;
dbo:pubchem "8268"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl" ;
dbp:inchikey "UOAMTSKGCBMZTC-UHFFFAOYSA-N" ;
skos:altLabel "p,p\uFFFD-dicofol"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_115-32-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcfl" ;
skos:prefLabel "dicofol"@nl ;
vcs:vmmParameterId "1464"^^xsd:int .
csc:QSJXEFYPDANLFS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:650 ;
dbo:casNumber "625-34-3" , "431-03-8" , "151677-70-2" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" ;
dbo:iupacName "Butane-2,3-dione"@en ;
dbo:pubchem "650"^^xsd:int ;
dbo:smiles "CC(=O)C(=O)C" ;
dbp:inchikey "QSJXEFYPDANLFS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001223 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23C4aDon" ;
skos:prefLabel "2,3-butadion"@nl .
csc:BPRYUXCVCCNUFE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10698 ;
dbo:casNumber "527-60-6" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3" ;
dbo:iupacName "2,4,6-TRIMETHYLPHENOL"@en ;
dbo:pubchem "10698"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)O)C" ;
dbp:inchikey "BPRYUXCVCCNUFE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001275 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TC1yFol" ;
skos:prefLabel "2,4,6-trimethylfenol"@nl .
csc:IKVXBIIHQGXQRQ-CYBMUJFWSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:94583 ;
dbo:casNumber "63782-90-1" ;
dbo:formula "C19H19ClFNO3" ;
dbo:inchi "InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3/t13-/m1/s1" ;
dbo:iupacName "propan-2-yl (2R)-2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate"@en ;
dbo:pubchem "94583"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "IKVXBIIHQGXQRQ-CYBMUJFWSA-N" ;
skos:altLabel "flamprop-M-isopropyl"@nl ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flampMiC3y" ;
skos:prefLabel "flamprop-m-isopropyl"@nl .
csc:KCXZNSGUUQJJTR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6786 ;
dbo:casNumber "68610-82-2" , "84-75-3" ;
dbo:formula "C20H30O4" ;
dbo:inchi "InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3" ;
dbo:iupacName "dihexyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6786"^^xsd:int ;
dbo:smiles "CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC" ;
dbp:inchikey "KCXZNSGUUQJJTR-UHFFFAOYSA-N" ;
skos:altLabel "di-n-hexylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC6yFt" ;
skos:prefLabel "dihexylftalaat"@nl .
csc:ZFHGXWPMULPQSE-WTKPLQERSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281874 ;
dbo:casNumber "79538-32-2" , "76437-51-9" , "93907-48-3" ;
dbo:formula "C17H14ClF7O2" ;
dbo:inchi "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" ;
dbo:iupacName "['(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate', '(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate']"@en ;
dbo:pubchem "5281874"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1F)F)COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)F)F" ;
dbp:inchikey "ZFHGXWPMULPQSE-WTKPLQERSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "teftn" ;
skos:prefLabel "tefluthrin"@nl .
csc:YIVXMZJTEQBPQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1489 ;
dbo:casNumber "94-82-6" ;
dbo:formula "C10H10Cl2O3" ;
dbo:inchi "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" ;
dbo:iupacName "4-(2,4-Dichlorophenoxy)butanoic acid"@en ;
dbo:pubchem "1489"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" ;
dbp:inchikey "YIVXMZJTEQBPQO-UHFFFAOYSA-N" ;
skos:altLabel "2,4-dichloorfenoxyboterzuur"@nl , "(2,4-dichloorfenoxy)boterzuur (2,4-db)"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_94-82-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DB" ;
skos:prefLabel "2,4-dichloorfenoxybutaanzuur"@nl ;
vcs:vmmParameterId "490"^^xsd:int .
csc:QAYICIQNSGETAS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10788 ;
dbo:casNumber "533-74-4" , "55146-10-6" ;
dbo:formula "C5H10N2S2" ;
dbo:inchi "InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" ;
dbo:iupacName "3,5-Dimethyl-1,3,5-thiadiazinane-2-thione"@en ;
dbo:pubchem "10788"^^xsd:int ;
dbo:smiles "CN1CN(C(=S)SC1)C" ;
dbp:inchikey "QAYICIQNSGETAS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003094 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dazmt" ;
skos:prefLabel "dazomet"@nl .
csc:VEZCTZWLJYWARH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:41510 ;
dbo:casNumber "55673-89-7" ;
dbo:formula "C12HCl7O" ;
dbo:inchi "InChI=1S/C12HCl7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H" ;
dbo:iupacName "1,2,3,4,7,8,9-HEPTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "41510"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "VEZCTZWLJYWARH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,4,7,8,9-heptachloordibenzofuran"@nl , "1,2,3,4,7,8,9-heptachloordibenzofuraan (hpcdf)"@nl , " 1,2,3,4,7,8,9-heptachloordibenzofuraan"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_55673-89-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF134" ;
skos:prefLabel "1,2,3,4,7,8,9-heptachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1245"^^xsd:int .
csc:IXQGCWUGDFDQMF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6997 ;
dbo:casNumber "25429-37-2" , "90-00-6" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3" ;
dbo:iupacName "2-Ethylphenol"@en ;
dbo:pubchem "6997"^^xsd:int ;
dbo:smiles "CCC1=CC=CC=C1O" ;
dbp:inchikey "IXQGCWUGDFDQMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yFol" ;
skos:prefLabel "2-ethylfenol"@nl .
csc:AWMVMTVKBNGEAK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7276 ;
dbo:casNumber "67253-49-0" , "96-09-3" , "62497-63-6" ;
dbo:formula "C8H8O" ;
dbo:inchi "InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2" ;
dbo:iupacName "2-Phenyloxirane"@en ;
dbo:pubchem "7276"^^xsd:int ;
dbo:smiles "C1C(O1)C2=CC=CC=C2" ;
dbp:inchikey "AWMVMTVKBNGEAK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12epOxC2yBen" ;
skos:prefLabel "1,2-epoxyethylbenzeen"@nl .
csc:NLMRMVVMKCKWFL-YRNVUSSQSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5491759 ;
dbo:casNumber "39184-27-5" ;
dbo:formula "C9H18N2O3S" ;
dbo:inchi "InChI=1S/C9H18N2O3S/c1-9(2,3)7(6-15(5)13)11-14-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+" ;
dbo:iupacName "[(Z)-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "5491759"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=NOC(=O)NC)CS(=O)C" ;
dbp:inchikey "NLMRMVVMKCKWFL-YRNVUSSQSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnSO" ;
skos:prefLabel "thiofanox-sulfoxide"@nl .
csc:AZZMGZXNTDTSME-XJTDMATHSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9570740 ;
dbo:casNumber "63527-52-6" ;
dbo:formula "C16H16N5NaO7S2" ;
dbo:inchi "InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m0./s1" ;
dbo:iupacName "sodium (6S,7S)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "9570740"^^xsd:int ;
dbo:smiles "CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+]" ;
dbp:inchikey "AZZMGZXNTDTSME-XJTDMATHSA-M" ;
skos:broader csc:CHEMONTID_0001189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ceftxme" ;
skos:prefLabel "cefotaxime"@nl .
csc:HICJAEZEEBOKGV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:213014 ;
dbo:casNumber "173159-57-4" ;
dbo:formula "C17H20N6O7S" ;
dbo:inchi "InChI=1S/C17H20N6O7S/c1-23(2)15(25)10-6-5-7-11(18-9-24)14(10)31(27,28)22-17(26)21-16-19-12(29-3)8-13(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" ;
dbo:iupacName "2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-formamido-N,N-dimethylbenzamide"@en ;
dbo:pubchem "213014"^^xsd:int ;
dbo:smiles "CN(C)C(=O)C1=C(C(=CC=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" ;
dbp:inchikey "HICJAEZEEBOKGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "forasfrn" ;
skos:prefLabel "foramsulfuron"@nl .
csc:IZRXCFCWDMSBQY-NXURVHCDSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5284437 ;
dbo:casNumber "2058-46-0" ;
dbo:formula "C22H25ClN2O9" ;
dbo:inchi "InChI=1S/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;1H/b20-11-;/t12-,13-,14+,17+,21-,22+;/m1./s1" ;
dbo:iupacName "(2Z,4S,4aR,5S,5aR,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride"@en ;
dbo:pubchem "5284437"^^xsd:int ;
dbo:smiles "CC1(C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.Cl" ;
dbp:inchikey "IZRXCFCWDMSBQY-NXURVHCDSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OxT4ccnHCl" ;
skos:prefLabel "oxytetracycline hydrochloride"@nl .
csc:XXSIKMDLPWYFIJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:176452 ;
dbo:casNumber "27176-97-2" ;
dbo:formula "C23H40O5" ;
dbo:inchi "InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-11-22-12-9-10-13-23(22)28-21-20-27-19-18-26-17-16-25-15-14-24/h9-10,12-13,24H,2-8,11,14-21H2,1H3" ;
dbo:iupacName "2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol"@en ;
dbo:pubchem "176452"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCO" ;
dbp:inchikey "XXSIKMDLPWYFIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO4" ;
skos:prefLabel "nonylfenoltetraethoxylaat"@nl .
csc:SMUQFGGVLNAIOZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7060 ;
dbo:casNumber "91-63-4" , "27601-00-9" ;
dbo:formula "C10H9N" ;
dbo:inchi "InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3" ;
dbo:iupacName "2-Methylquinoline"@en ;
dbo:pubchem "7060"^^xsd:int ;
dbo:smiles "CC1=NC2=CC=CC=C2C=C1" ;
dbp:inchikey "SMUQFGGVLNAIOZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yqnlne" ;
skos:prefLabel "2-methylquinoline"@nl .
csc:XMGQYMWWDOXHJM-JTQLQIEISA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:440917 ;
dbo:casNumber "5989-27-5" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" ;
dbo:iupacName "(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene"@en ;
dbo:pubchem "440917"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1)C(=C)C" ;
dbp:inchikey "XMGQYMWWDOXHJM-JTQLQIEISA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dlimnn" ;
skos:prefLabel "d-limoneen"@nl .
csc:HGMYRFJAJNYBRX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:63097 ;
dbo:casNumber "52663-65-7" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-2-5(14)10(17)8(4)9-6(15)3-7(16)11(18)12(9)19/h1-3H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "63097"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "HGMYRFJAJNYBRX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB176" ;
skos:prefLabel "2,2',3,3',4,6,6'-heptachloorbifenyl"@nl .
csc:XKTMIJODWOEBKO-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20803 ;
dbo:casNumber "260057-95-2" , "4680-78-8" ;
dbo:formula "C37H35N2NaO6S2" ;
dbo:inchi "InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1" ;
dbo:iupacName "sodium 3-[[ethyl-[4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-1-cyclohexa-2,5-dienylidene]-phenylmethyl]phenyl]amino]methyl]benzenesulfonate"@en ;
dbo:pubchem "20803"^^xsd:int ;
dbo:smiles "CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+]" ;
dbp:inchikey "XKTMIJODWOEBKO-UHFFFAOYSA-M" ;
skos:altLabel "C.I. Acid Green 3"@nl ;
skos:broader csc:CHEMONTID_0004204 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ciagn3" ;
skos:prefLabel "c.i. acid green 3"@nl .
csc:BHYQWBKCXBXPKM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3015044 ;
dbo:casNumber "19186-97-1" , "134376-16-2" , "36483-58-6" ;
dbo:formula "C15H24Br9O4P" ;
dbo:inchi "InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2" ;
dbo:iupacName "tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate"@en ;
dbo:pubchem "3015044"^^xsd:int ;
dbo:smiles "C(C(CBr)(CBr)CBr)OP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr" ;
dbp:inchikey "BHYQWBKCXBXPKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "trisTBrnoC5y" ;
skos:prefLabel "tris(tribroomneopentyl)fosfaat"@nl .
csc:RFLHUYUQCKHUKS-JUODUXDSSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9571073 ;
dbo:casNumber "80370-57-6" , "104010-37-9" ;
dbo:formula "C19H16N5NaO7S3" ;
dbo:inchi "InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1" ;
dbo:iupacName "sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "9571073"^^xsd:int ;
dbo:smiles "CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+]" ;
dbp:inchikey "RFLHUYUQCKHUKS-JUODUXDSSA-M" ;
skos:broader csc:CHEMONTID_0001189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ceftofr" ;
skos:prefLabel "ceftiofur"@nl .
csc:OYEHPCDNVJXUIW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23940 ;
dbo:casNumber "7440-07-5" , "22541-44-2" , "22541-69-1" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu" ;
dbo:iupacName "PLUTONIUM"@en ;
dbo:pubchem "23940"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "OYEHPCDNVJXUIW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu" ;
skos:prefLabel "plutonium"@nl .
csc:BDERNNFJNOPAEC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:1031 ;
dbo:casNumber "62309-51-7" , "71-23-8" ;
dbo:formula "C3H8O" ;
dbo:inchi "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" ;
dbo:iupacName "Propan-1-ol"@en ;
dbo:pubchem "1031"^^xsd:int ;
dbo:smiles "CCCO" ;
dbp:inchikey "BDERNNFJNOPAEC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_009 ;
skos:altLabel "propanol"@nl ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3ol" ;
skos:prefLabel "n-propanol"@nl .
csc:LEONUFNNVUYDNQ-OIOBTWANSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:161054 ;
dbo:casNumber "14331-97-6" ;
dbo:formula "V" ;
dbo:inchi "InChI=1S/V/i1-3" ;
dbo:iupacName "vanadium-48"@en ;
dbo:pubchem "161054"^^xsd:int ;
dbo:smiles "[V]" ;
dbp:inchikey "LEONUFNNVUYDNQ-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "V48" ;
skos:prefLabel "vanadium 48"@nl .
csc:NLZUEZXRPGMBCV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31404 ;
dbo:casNumber "42615-30-5" , "102962-45-8" , "950-56-1" , "50641-99-1" , "83047-16-9" , "128-37-0" , "58500-82-6" , "52683-46-2" , "97123-41-6" , "50356-19-9" , "53571-70-3" ;
dbo:formula "C15H24O" ;
dbo:inchi "InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3" ;
dbo:iupacName "2,6-ditert-butyl-4-methylphenol"@en ;
dbo:pubchem "31404"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C" ;
dbp:inchikey "NLZUEZXRPGMBCV-UHFFFAOYSA-N" ;
skos:altLabel "butylhydroxytolueen (bht)"@nl , "butylhydroxytolueen"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_128-37-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BHT" ;
skos:prefLabel "butylhydroxytolueen (BHT)"@nl ;
vcs:vmmParameterId "1511"^^xsd:int .
csc:WPALTCMYPARVNV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10110536 ;
dbo:casNumber "129558-76-5" ;
dbo:formula "C21H22ClN3O2" ;
dbo:inchi "InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)" ;
dbo:iupacName "4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide"@en ;
dbo:pubchem "10110536"^^xsd:int ;
dbo:smiles "CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C" ;
dbp:inchikey "WPALTCMYPARVNV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tolfprd" ;
skos:prefLabel "tolfenpyrad"@nl .
csc:RMMXLENWKUUMAY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:65999 ;
dbo:casNumber "144701-48-4" ;
dbo:formula "C33H30N4O2" ;
dbo:inchi "InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)" ;
dbo:iupacName "2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid"@en ;
dbo:pubchem "65999"^^xsd:int ;
dbo:smiles "CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C" ;
dbp:inchikey "RMMXLENWKUUMAY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "telmstn" ;
skos:prefLabel "telmisartan"@nl .
csc:XAIPTRIXGHTTNT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:47445 ;
dbo:casNumber "64628-44-0" ;
dbo:formula "C15H10ClF3N2O3" ;
dbo:inchi "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" ;
dbo:iupacName "2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide"@en ;
dbo:pubchem "47445"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl" ;
dbp:inchikey "XAIPTRIXGHTTNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfmrn" ;
skos:prefLabel "triflumuron"@nl .
csc:JHFAEUICJHBVHB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65531 ;
dbo:casNumber "59-48-3" , "16990-73-1" ;
dbo:formula "C8H7NO" ;
dbo:inchi "InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-5,9-10H" ;
dbo:iupacName "1H-Indol-2-ol"@en ;
dbo:pubchem "65531"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=C(N2)O" ;
dbp:inchikey "JHFAEUICJHBVHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004162 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DHindl2on" ;
skos:prefLabel "2,3-dihydroindol-2-on"@nl .
csc:SZVGIJOITCPDPM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15099039 ;
dbo:casNumber "763051-92-9" ;
dbo:formula "C10HClF20O4S" ;
dbo:inchi "InChI=1S/C10HClF20O4S/c11-7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)35-9(28,29)10(30,31)36(32,33)34/h(H,32,33,34)" ;
dbo:iupacName "2-(8-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctoxy)-1,1,2,2-tetrafluoroethanesulfonic acid"@en ;
dbo:pubchem "15099039"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "SZVGIJOITCPDPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001179 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11Cl‐PF3OUnDS" ;
skos:prefLabel "11‐chloroeicosafluoro‐3‐oxaundecane‐1‐sulfonzuur"@nl .
csc:BYBLEWFAAKGYCD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4189 ;
dbo:casNumber "75319-47-0" , "22916-47-8" ;
dbo:formula "C18H14Cl4N2O" ;
dbo:inchi "InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole"@en ;
dbo:pubchem "4189"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "BYBLEWFAAKGYCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002542 ;
skos:exactMatch wise:CAS_22916-47-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "micanzl" ;
skos:prefLabel "miconazol"@nl ;
vcs:vmmParameterId "1189"^^xsd:int .
csc:MIJLZGZLQLAQCM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91743 ;
dbo:casNumber "126518-70-5" , "87237-48-7" ;
dbo:formula "C19H19ClF3NO5" ;
dbo:inchi "InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3" ;
dbo:iupacName "2-ethoxyethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "91743"^^xsd:int ;
dbo:smiles "CCOCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" ;
dbp:inchikey "MIJLZGZLQLAQCM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halOxfC2oxC2" ;
skos:prefLabel "haloxyfop-ethoxyethyl"@nl .
csc:ACTOXUHEUCPTEW-JMRHEKERSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6419898 ;
dbo:casNumber "8025-81-8" ;
dbo:formula "C43H74N2O14" ;
dbo:inchi "InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1" ;
dbo:iupacName "['2-[(4R,5S,6S,7R,9R,10R,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde', '2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde']"@en ;
dbo:pubchem "6419898"^^xsd:int ;
dbo:smiles "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C" ;
dbp:inchikey "ACTOXUHEUCPTEW-JMRHEKERSA-N" ;
skos:altLabel "spiramycine (i+ii+iii)"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmcne" ;
skos:prefLabel "spiramycine (I+II+III)"@nl .
csc:CZZYITDELCSZES-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7580 ;
dbo:casNumber "101-81-5" ;
dbo:formula "C13H12" ;
dbo:inchi "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" ;
dbo:iupacName "phenylmethylbenzene"@en ;
dbo:pubchem "7580"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC2=CC=CC=C2" ;
dbp:inchikey "CZZYITDELCSZES-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DFyC1a" ;
skos:prefLabel "difenylmethaan"@nl .
csc:ABBKOIZWGCVCKE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:185831 ;
dbo:casNumber "56046-17-4" ;
dbo:formula "C10H14N2O" ;
dbo:inchi "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" ;
dbo:iupacName "(4-propan-2-ylphenyl)urea"@en ;
dbo:pubchem "185831"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)NC(=O)N" ;
dbp:inchikey "ABBKOIZWGCVCKE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14iC3yFyurum" ;
skos:prefLabel "1-(4-isopropylfenyl)ureum"@nl .
csc:ZJMZZNVGNSWOOM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33443 ;
dbo:casNumber "26259-45-0" , "38473-42-6" , "11096-33-6" ;
dbo:formula "C10H19N5O" ;
dbo:inchi "InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "N-butan-2-yl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "33443"^^xsd:int ;
dbo:smiles "CCC(C)NC1=NC(=NC(=N1)NCC)OC" ;
dbp:inchikey "ZJMZZNVGNSWOOM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004731 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "secbmtn" ;
skos:prefLabel "secbumeton"@nl .
csc:RJCQBQGAPKAMLL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6384 ;
dbo:casNumber "75-63-8" , "62395-25-9" ;
dbo:formula "CBrF3" ;
dbo:inchi "InChI=1S/CBrF3/c2-1(3,4)5" ;
dbo:iupacName "bromo-trifluoromethane"@en ;
dbo:pubchem "6384"^^xsd:int ;
dbo:smiles "C(F)(F)(F)Br" ;
dbp:inchikey "RJCQBQGAPKAMLL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halon1301" ;
skos:prefLabel "broomtrifluormethaan"@nl .
csc:YTOPFCCWCSOHFV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:32518 ;
dbo:casNumber "24602-86-6" , "81412-43-3" ;
dbo:formula "C19H39NO" ;
dbo:inchi "InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3" ;
dbo:iupacName "2,6-Dimethyl-4-tridecylmorpholine"@en ;
dbo:pubchem "32518"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCN1CC(OC(C1)C)C" ;
dbp:inchikey "YTOPFCCWCSOHFV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000392 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tdmf" ;
skos:prefLabel "tridemorf"@nl .
csc:FWFUWXVFYKCSQA-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3034154 ;
dbo:casNumber "115137-50-3" , "15214-89-8" , "86848-82-0" , "113996-54-6" , "171063-24-4" , "5165-97-9" , "112666-19-0" , "152634-06-5" , "95243-13-3" , "76701-57-0" , "192388-82-2" , "129701-88-8" ;
dbo:formula "C7H12NNaO4S" ;
dbo:inchi "InChI=1S/C7H13NO4S.Na/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1" ;
dbo:iupacName "sodium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate"@en ;
dbo:pubchem "3034154"^^xsd:int ;
dbo:smiles "CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[Na+]" ;
dbp:inchikey "FWFUWXVFYKCSQA-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001179 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2acamd2C1yC3" ;
skos:prefLabel "2-acrylamido-2-methylpropaansulfonzuur"@nl .
csc:RHDHXBLZBVAPTL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17631 ;
dbo:casNumber "2719-64-4" ;
dbo:formula "C18H30" ;
dbo:inchi "InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3" ;
dbo:iupacName "dodecan-4-ylbenzene"@en ;
dbo:pubchem "17631"^^xsd:int ;
dbo:smiles "CCCCCCCCC(CCC)C1=CC=CC=C1" ;
dbp:inchikey "RHDHXBLZBVAPTL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3yC9yBen" ;
skos:prefLabel "(1-propylnonyl)-benzeen"@nl .
csc:JXTHNDFMNIQAHM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6597 ;
dbo:casNumber "42428-47-7" , "79-43-6" ;
dbo:formula "C2H2Cl2O2" ;
dbo:inchi "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" ;
dbo:iupacName "2,2-Dichloroacetic acid"@en ;
dbo:pubchem "6597"^^xsd:int ;
dbo:smiles "C(C(=O)O)(Cl)Cl" ;
dbp:inchikey "JXTHNDFMNIQAHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClHAc" ;
skos:prefLabel "dichloorazijnzuur"@nl .
csc:SJKDXZGLKADOQD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:87185480 ;
dbo:casNumber "39492-89-2" ;
dbo:formula "C5HF9O5" ;
dbo:inchi "InChI=1S/C5HF9O5/c6-2(7,1(15)16)17-4(11,12)19-5(13,14)18-3(8,9)10/h(H,15,16)" ;
dbo:iupacName "2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-2,2-difluoroacetic acid"@en ;
dbo:pubchem "87185480"^^xsd:int ;
dbo:smiles "C(=O)(C(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "SJKDXZGLKADOQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFO3OA" ;
skos:prefLabel "perfluor-3,5,7-trioxaoctaanzuur"@nl .
csc:FOHHWGVAOVDVLP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12477 ;
dbo:casNumber "635-22-3" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2" ;
dbo:iupacName "4-Chloro-3-nitroaniline"@en ;
dbo:pubchem "12477"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)[N+](=O)[O-])Cl" ;
dbp:inchikey "FOHHWGVAOVDVLP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl3NO2An" ;
skos:prefLabel "4-chloor-3-nitroaniline"@nl .
csc:AKPLHCDWDRPJGD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2997 ;
dbo:casNumber "1088-11-5" ;
dbo:formula "C15H11ClN2O" ;
dbo:inchi "InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)" ;
dbo:iupacName "7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "2997"^^xsd:int ;
dbo:smiles "C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3" ;
dbp:inchikey "AKPLHCDWDRPJGD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desC1yDazpm" ;
skos:prefLabel "desmethyldiazepam"@nl .
csc:ZSDSQXJSNMTJDA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5569 ;
dbo:casNumber "75635-23-3" , "71281-30-6" , "1582-09-8" , "61373-95-3" , "39300-53-3" , "52627-52-8" ;
dbo:formula "C13H16F3N3O4" ;
dbo:inchi "InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" ;
dbo:iupacName "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline"@en ;
dbo:pubchem "5569"^^xsd:int ;
dbo:smiles "CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" ;
dbp:inchikey "ZSDSQXJSNMTJDA-UHFFFAOYSA-N" ;
skos:altLabel "trifluralin"@nl ;
skos:broader csc:CHEMONTID_0003968 ;
skos:exactMatch wise:CAS_1582-09-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfrlne" ;
skos:prefLabel "trifluraline"@nl ;
vcs:vmmParameterId "417"^^xsd:int .
csc:MIORUQGGZCBUGO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23998 ;
dbo:casNumber "7440-72-4" ;
dbo:formula "Fm" ;
dbo:inchi "InChI=1S/Fm" ;
dbo:iupacName "FERMIUM"@en ;
dbo:pubchem "23998"^^xsd:int ;
dbo:smiles "[Fm]" ;
dbp:inchikey "MIORUQGGZCBUGO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fm" ;
skos:prefLabel "fermium"@nl .
csc:OGGXGZAMXPVRFZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2513 ;
dbo:casNumber "58114-73-1" , "11126-73-1" , "75-60-5" , "917-76-0" , "8073-10-7" ;
dbo:formula "C2H7AsO2" ;
dbo:inchi "InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)" ;
dbo:iupacName "Dimethylarsinic acid"@en ;
dbo:pubchem "2513"^^xsd:int ;
dbo:smiles "C[As](=O)(C)O" ;
dbp:inchikey "OGGXGZAMXPVRFZ-UHFFFAOYSA-N" ;
skos:altLabel "dimethylarseenzuur"@nl ;
skos:broader csc:CHEMONTID_0004239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yAszr" ;
skos:prefLabel "dimethyl arseenzuur"@nl .
csc:APFVFJFRJDLVQX-AHCXROLUSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5462099 ;
dbo:casNumber "15750-15-9" ;
dbo:formula "In" ;
dbo:inchi "InChI=1S/In/i1-4" ;
dbo:iupacName "indium-111"@en ;
dbo:pubchem "5462099"^^xsd:int ;
dbo:smiles "[In]" ;
dbp:inchikey "APFVFJFRJDLVQX-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "In111" ;
skos:prefLabel "indium 111"@nl .
csc:MBMBGCFOFBJSGT-KUBAVDMBSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:445580 ;
dbo:casNumber "6217-54-5" , "25377-50-8" ;
dbo:formula "C22H32O2" ;
dbo:inchi "InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-" ;
dbo:iupacName "(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid"@en ;
dbo:pubchem "445580"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O" ;
dbp:inchikey "MBMBGCFOFBJSGT-KUBAVDMBSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cC22aHxzr" ;
skos:prefLabel "cis-4,7,10,13,16,19-docosahexaeenzuur"@nl .
csc:ASCDQPSSGQOUOI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:159424 ;
dbo:casNumber "12060-05-8" ;
dbo:formula "O7Re2-14" ;
dbo:inchi "InChI=1S/7O.2Re/q7*-2;;" ;
dbo:iupacName "oxygen(2-);rhenium"@en ;
dbo:pubchem "159424"^^xsd:int ;
dbo:smiles "[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re]" ;
dbp:inchikey "ASCDQPSSGQOUOI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DReTO" ;
skos:prefLabel "dirhenium trioxide"@nl .
csc:PXWLVJLKJGVOKE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3778 ;
dbo:casNumber "88205-06-5" , "128065-64-5" , "12542-35-7" , "479-92-5" ;
dbo:formula "C14H18N2O" ;
dbo:inchi "InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3" ;
dbo:iupacName "1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one"@en ;
dbo:pubchem "3778"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C" ;
dbp:inchikey "PXWLVJLKJGVOKE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propfnzn" ;
skos:prefLabel "propyfenazon"@nl .
csc:JPIYZTWMUGTEHX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10298 ;
dbo:casNumber "492-80-8" , "105913-60-8" ;
dbo:formula "C17H21N3" ;
dbo:inchi "InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3" ;
dbo:iupacName "4-(4-dimethylaminobenzenecarboximidoyl)-N,N-dimethylaniline"@en ;
dbo:pubchem "10298"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C" ;
dbp:inchikey "JPIYZTWMUGTEHX-UHFFFAOYSA-N" ;
skos:altLabel "c.i. solvent yellow 34"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cisyw34" ;
skos:prefLabel "C.I. Solvent Yellow 34"@nl .
csc:RQVYBGPQFYCBGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13263 ;
dbo:casNumber "834-12-8" ;
dbo:formula "C9H17N5S" ;
dbo:inchi "InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)" ;
dbo:iupacName "N'-ethyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13263"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)SC)NC(C)C" ;
dbp:inchikey "RQVYBGPQFYCBGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_834-12-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amtn" ;
skos:prefLabel "ametryn"@nl ;
vcs:vmmParameterId "1076"^^xsd:int .
csc:FFINMCNLQNTKLU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3739 ;
dbo:casNumber "606-17-7" ;
dbo:formula "C20H14I6N2O6" ;
dbo:inchi "InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)" ;
dbo:iupacName "3-[[6-[(3-carboxy-2,4,6-triiodophenyl)amino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid"@en ;
dbo:pubchem "3739"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I" ;
dbp:inchikey "FFINMCNLQNTKLU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jodpAd" ;
skos:prefLabel "jodipamide"@nl .
csc:NPNIZCVKXVRCHF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:79828 ;
dbo:casNumber "5756-24-1" , "85931-55-1" ;
dbo:formula "C2H6S4" ;
dbo:inchi "InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3" ;
dbo:iupacName "methyldisulfanyldisulfanylmethane"@en ;
dbo:pubchem "79828"^^xsd:int ;
dbo:smiles "CSSSSC" ;
dbp:inchikey "NPNIZCVKXVRCHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003260 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yT4S" ;
skos:prefLabel "dimethyltetrasulfide"@nl .
csc:HCWPIIXVSYCSAN-OIOBTWANSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335825 ;
dbo:casNumber "15623-45-7" ;
dbo:formula "Ra" ;
dbo:inchi "InChI=1S/Ra/i1-3" ;
dbo:iupacName "radium-223"@en ;
dbo:pubchem "6335825"^^xsd:int ;
dbo:smiles "[Ra]" ;
dbp:inchikey "HCWPIIXVSYCSAN-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ra223" ;
skos:prefLabel "radium 223"@nl .
csc:LBGPXIPGGRQBJW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39425 ;
dbo:casNumber "49866-87-7" ;
dbo:formula "C17H17N2+" ;
dbo:inchi "InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1" ;
dbo:iupacName "1,2-dimethyl-3,5-di(phenyl)pyrazol-1-ium"@en ;
dbo:pubchem "39425"^^xsd:int ;
dbo:smiles "CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "LBGPXIPGGRQBJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfzqt" ;
skos:prefLabel "difenzoquat"@nl .
csc:NLXGURFLBLRZRO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8147 ;
dbo:casNumber "111-91-1" ;
dbo:formula "C5H10Cl2O2" ;
dbo:inchi "InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2" ;
dbo:iupacName "1-chloro-2-(2-chloroethoxymethoxy)ethane"@en ;
dbo:pubchem "8147"^^xsd:int ;
dbo:smiles "C(CCl)OCOCCCl" ;
dbp:inchikey "NLXGURFLBLRZRO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001656 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis2ClC2oxC1" ;
skos:prefLabel "bis(2-chloorethoxy)methaan"@nl .
csc:XSQUKJJJFZCRTK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1176 ;
dbo:casNumber "173144-80-4" , "57-13-6" , "174693-33-5" , "30535-50-3" , "37955-36-5" , "173994-65-5" , "175276-38-7" , "4744-36-9" ;
dbo:formula "CH4N2O" ;
dbo:inchi "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" ;
dbo:iupacName "UREA"@en ;
dbo:pubchem "1176"^^xsd:int ;
dbo:smiles "C(=O)(N)N" ;
dbp:inchikey "XSQUKJJJFZCRTK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_A_003 ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "urum" ;
skos:prefLabel "ureum"@nl .
csc:FCOAHACKGGIURQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33294 ;
dbo:casNumber "72779-52-3" , "62601-78-9" , "26087-47-8" ;
dbo:formula "C13H21O3PS" ;
dbo:inchi "InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3" ;
dbo:iupacName "di(propan-2-yloxy)phosphorylsulfanylmethylbenzene"@en ;
dbo:pubchem "33294"^^xsd:int ;
dbo:smiles "CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1" ;
dbp:inchikey "FCOAHACKGGIURQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ipnfs" ;
skos:prefLabel "iprobenfos"@nl .
csc:CAYGQBVSOZLICD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6905 ;
dbo:casNumber "87-82-1" ;
dbo:formula "C6Br6" ;
dbo:inchi "InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9" ;
dbo:iupacName "1,2,3,4,5,6-hexabromobenzene"@en ;
dbo:pubchem "6905"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br" ;
dbp:inchikey "CAYGQBVSOZLICD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001098 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxBrBen" ;
skos:prefLabel "hexabroombenzeen"@nl .
csc:XMBWDFGMSWQBCA-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:161029 ;
dbo:casNumber "14158-32-8" ;
dbo:formula "HI" ;
dbo:inchi "InChI=1S/HI/h1H/i1-1" ;
dbo:iupacName "Iodane-126"@en ;
dbo:pubchem "161029"^^xsd:int ;
dbo:smiles "I" ;
dbp:inchikey "XMBWDFGMSWQBCA-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000548 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I126" ;
skos:prefLabel "jodium 126"@nl .
csc:RTKIYNMVFMVABJ-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5908 ;
dbo:casNumber "11004-81-2" , "8030-32-8" , "113170-85-7" , "2141-27-7" , "23065-35-2" , "54-64-8" , "25948-50-9" , "77536-61-9" , "130995-49-2" ;
dbo:formula "C9H9HgNaO2S" ;
dbo:inchi "InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2" ;
dbo:iupacName "sodium (2-carboxylatophenyl)sulfanyl-ethylmercury"@en ;
dbo:pubchem "5908"^^xsd:int ;
dbo:smiles "CC[Hg+].C1=CC=C(C(=C1)C(=O)[O-])[S-].[Na+]" ;
dbp:inchikey "RTKIYNMVFMVABJ-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0003106 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Namtolt" ;
skos:prefLabel "natriummerthiolaat"@nl .
csc:WGVYCXYGPNNUQA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6992 ;
dbo:casNumber "28777-60-8" , "89-92-9" ;
dbo:formula "C8H9Br" ;
dbo:inchi "InChI=1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3" ;
dbo:iupacName "1-(Bromomethyl)-2-methylbenzene"@en ;
dbo:pubchem "6992"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1CBr" ;
dbp:inchikey "WGVYCXYGPNNUQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003979 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1BrC1y2C1yBe" ;
skos:prefLabel "1-(broommethyl)-2-methylbenzeen"@nl .
csc:YBRVSVVVWCFQMG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7577 ;
dbo:casNumber "101-77-9" , "28602-61-1" , "83712-44-1" ;
dbo:formula "C13H14N2" ;
dbo:inchi "InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2" ;
dbo:iupacName "4-[(4-aminophenyl)methyl]aniline"@en ;
dbo:pubchem "7577"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CC2=CC=C(C=C2)N)N" ;
dbp:inchikey "YBRVSVVVWCFQMG-UHFFFAOYSA-N" ;
skos:altLabel "4,4'-methyleendianiline"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44C1yeDAn" ;
skos:prefLabel "4,4'-diaminodifenylmethaan"@nl .
csc:XMBWDFGMSWQBCA-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433622 ;
dbo:casNumber "15046-84-1" ;
dbo:formula "HI" ;
dbo:inchi "InChI=1S/HI/h1H/i1+2" ;
dbo:iupacName "Iodane-129"@en ;
dbo:pubchem "6433622"^^xsd:int ;
dbo:smiles "I" ;
dbp:inchikey "XMBWDFGMSWQBCA-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000548 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I129" ;
skos:prefLabel "jodium 129"@nl .
csc:CKLLRBPBZLTGDJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37250 ;
dbo:casNumber "35694-06-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-1-2-6(8(14)3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "37250"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "CKLLRBPBZLTGDJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB137" ;
skos:prefLabel "2,2',3,4,4',5-hexachloorbifenyl"@nl .
csc:KPUREKXXPHOJQT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:175967 ;
dbo:casNumber "435270-61-4" , "104206-82-8" , "207996-81-4" ;
dbo:formula "C14H13NO7S" ;
dbo:inchi "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" ;
dbo:iupacName "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione"@en ;
dbo:pubchem "175967"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" ;
dbp:inchikey "KPUREKXXPHOJQT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004673 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "meston" ;
skos:prefLabel "mesotrion"@nl .
csc:IWEDIXLBFLAXBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3030 ;
dbo:casNumber "62610-39-3" , "1918-00-9" ;
dbo:formula "C8H6Cl2O3" ;
dbo:inchi "InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" ;
dbo:iupacName "3,6-Dichloro-2-methoxybenzoic acid"@en ;
dbo:pubchem "3030"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1C(=O)O)Cl)Cl" ;
dbp:inchikey "IWEDIXLBFLAXBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002345 ;
skos:exactMatch wise:CAS_1918-00-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcba" ;
skos:prefLabel "dicamba"@nl ;
vcs:vmmParameterId "459"^^xsd:int .
csc:WYUIWKFIFOJVKW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7256 ;
dbo:casNumber "95-75-0" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3" ;
dbo:iupacName "1,2-dichloro-4-methylbenzene"@en ;
dbo:pubchem "7256"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "WYUIWKFIFOJVKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClTol" ;
skos:prefLabel "3,4-dichloortolueen"@nl .
csc:LZZYPRNAOMGNLH-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5974 ;
dbo:casNumber "79631-76-8" , "69217-35-2" , "108779-80-2" , "12294-25-6" , "6899-10-1" , "57-09-0" , "104302-76-3" ;
dbo:formula "C19H42BrN" ;
dbo:inchi "InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "hexadecyl-trimethylazanium bromide"@en ;
dbo:pubchem "5974"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]" ;
dbp:inchikey "LZZYPRNAOMGNLH-UHFFFAOYSA-M" ;
skos:altLabel "cetyltrimethylammoniumbromide"@nl ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CTAB" ;
skos:prefLabel "hexadecyltrimethylammonium"@nl .
csc:JOOMJVFZQRQWKR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26033 ;
dbo:casNumber "13457-18-6" ;
dbo:formula "C14H20N3O5PS" ;
dbo:inchi "InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3" ;
dbo:iupacName "ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate"@en ;
dbo:pubchem "26033"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C" ;
dbp:inchikey "JOOMJVFZQRQWKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004623 ;
skos:exactMatch wise:CAS_13457-18-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrazfs" ;
skos:prefLabel "pyrazofos"@nl ;
vcs:vmmParameterId "913"^^xsd:int .
csc:BGRDGMRNKXEXQD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21954 ;
dbo:casNumber "92335-53-0" , "5425-79-6" , "123-33-1" , "10071-13-3" , "48100-18-1" , "220787-04-2" , "66988-32-7" ;
dbo:formula "C4H4N2O2" ;
dbo:inchi "InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)" ;
dbo:iupacName "1,2-Dihydropyridazine-3,6-dione"@en ;
dbo:pubchem "21954"^^xsd:int ;
dbo:smiles "C1=CC(=O)NNC1=O" ;
dbp:inchikey "BGRDGMRNKXEXQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000208 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malinhdzde" ;
skos:prefLabel "maleinehydrazide"@nl .
csc:JXMGZLBGSDLPKN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61627 ;
dbo:casNumber "13474-88-9" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-3(5,10)2(8,9)1(6)7/h1H" ;
dbo:iupacName "1,1-DICHLORO-1,2,2,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61627"^^xsd:int ;
dbo:smiles "C(C(C(F)(Cl)Cl)(F)F)(F)F" ;
dbp:inchikey "JXMGZLBGSDLPKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225cc" ;
skos:prefLabel "1,1-dichloor-1,2,2,3,3-pentafluorpropaan"@nl .
csc:UUAGAQFQZIEFAH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6594 ;
dbo:casNumber "58339-48-3" , "8045-75-8" , "56749-16-7" , "27837-89-4" , "105864-12-8" , "39360-67-3" , "58339-49-4" , "50935-29-0" , "52932-38-4" , "39403-94-6" , "57176-52-0" , "79-38-9" , "9002-83-9" , "52683-04-2" , "39475-51-9" , "52350-38-6" , "69494-42-4" , "58339-65-4" , "9036-80-0" , "58339-57-4" , "59889-02-0" , "84842-77-3" ;
dbo:formula "C2ClF3" ;
dbo:inchi "InChI=1S/C2ClF3/c3-1(4)2(5)6" ;
dbo:iupacName "1-chloro-1,2,2-trifluoroethene"@en ;
dbo:pubchem "6594"^^xsd:int ;
dbo:smiles "C(=C(F)Cl)(F)F" ;
dbp:inchikey "UUAGAQFQZIEFAH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK1113" ;
skos:prefLabel "1-chloor-1,2,2-trifluoretheen"@nl .
csc:NSMZCUAVEOTJDS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:79329 ;
dbo:casNumber "5367-28-2" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3" ;
dbo:iupacName "4-chloro-2-methyl-1-nitrobenzene"@en ;
dbo:pubchem "79329"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "NSMZCUAVEOTJDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5Cl2NO2Tol" ;
skos:prefLabel "5-chloor-2-nitrotolueen"@nl .
csc:NBBJYMSMWIIQGU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:527 ;
dbo:casNumber "123-38-6" ;
dbo:formula "C3H6O" ;
dbo:inchi "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" ;
dbo:iupacName "propanal"@en ;
dbo:pubchem "527"^^xsd:int ;
dbo:smiles "CCC=O" ;
dbp:inchikey "NBBJYMSMWIIQGU-UHFFFAOYSA-N" ;
skos:altLabel "propionaldehyde"@nl , "propanal"@nl ;
skos:broader csc:CHEMONTID_0002434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3al" ;
skos:prefLabel "propionaldehyde "@nl .
csc:UFHFLCQGNIYNRP-JMRXTUGHSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24824 ;
dbo:casNumber "10028-17-8" ;
dbo:formula "H2" ;
dbo:inchi "InChI=1S/H2/h1H/i1+2T" ;
dbo:iupacName "Tritium"@en ;
dbo:pubchem "24824"^^xsd:int ;
dbo:smiles "[HH]" ;
dbp:inchikey "UFHFLCQGNIYNRP-JMRXTUGHSA-N" ;
skos:broader csc:CHEMONTID_0000552 ;
skos:exactMatch wise:CAS_10028-17-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H3" ;
skos:prefLabel "tritium"@nl ;
vcs:vmmParameterId "452"^^xsd:int .
csc:VHRSUDSXCMQTMA-PJHHCJLFSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6741 ;
dbo:casNumber "121673-01-6" , "83-43-2" , "570-35-4" ;
dbo:formula "C22H30O5" ;
dbo:inchi "InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1" ;
dbo:iupacName "(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "6741"^^xsd:int ;
dbo:smiles "CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O" ;
dbp:inchikey "VHRSUDSXCMQTMA-PJHHCJLFSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1ypnsln" ;
skos:prefLabel "methylprednisolon"@nl .
csc:XUDJZDNUVZHSKZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:75546 ;
dbo:casNumber "2442-49-1" ;
dbo:formula "C25H50O2" ;
dbo:inchi "InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3" ;
dbo:iupacName "Methyl tetracosanoate"@en ;
dbo:pubchem "75546"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC" ;
dbp:inchikey "XUDJZDNUVZHSKZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C24azrC1yEsr" ;
skos:prefLabel "tetracosaanzuur, methylester"@nl .
csc:KXRPCFINVWWFHQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91752 ;
dbo:casNumber "95465-99-9" , "103735-82-6" ;
dbo:formula "C10H23O2PS2" ;
dbo:inchi "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" ;
dbo:iupacName "2-(butan-2-ylsulfanyl-ethoxyphosphoryl)sulfanylbutane"@en ;
dbo:pubchem "91752"^^xsd:int ;
dbo:smiles "CCC(C)SP(=O)(OCC)SC(C)CC" ;
dbp:inchikey "KXRPCFINVWWFHQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cadsfs" ;
skos:prefLabel "cadusafos"@nl .
csc:VOVIALXJUBGFJZ-VXKMTNQYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40000 ;
dbo:casNumber "51333-22-3" , "51372-29-3" ;
dbo:formula "C25H34O6" ;
dbo:inchi "InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1" ;
dbo:iupacName "(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one"@en ;
dbo:pubchem "40000"^^xsd:int ;
dbo:smiles "CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C" ;
dbp:inchikey "VOVIALXJUBGFJZ-VXKMTNQYSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "budsnde" ;
skos:prefLabel "budesonide"@nl .
csc:YQHLDYVWEZKEOX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6629 ;
dbo:casNumber "80-15-9" , "79568-78-8" ;
dbo:formula "C9H12O2" ;
dbo:inchi "InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" ;
dbo:iupacName "2-hydroperoxypropan-2-ylbenzene"@en ;
dbo:pubchem "6629"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=CC=C1)OO" ;
dbp:inchikey "YQHLDYVWEZKEOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cumHpO" ;
skos:prefLabel "cumeen hydroperoxide"@nl .
csc:SMFHPCZZAAMJJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12008 ;
dbo:casNumber "68137-05-3" , "615-74-7" , "54548-50-4" ;
dbo:formula "C7H7ClO" ;
dbo:inchi "InChI=1S/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3" ;
dbo:iupacName "2-CHLORO-5-METHYLPHENOL"@en ;
dbo:pubchem "12008"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)Cl)O" ;
dbp:inchikey "SMFHPCZZAAMJJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001273 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl5C1yFol" ;
skos:prefLabel "2-chloor-5-methylfenol"@nl .
csc:NQPDXQQQCQDHHW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:50248 ;
dbo:casNumber "68786-66-3" ;
dbo:formula "C14H9Cl3N2OS" ;
dbo:inchi "InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)" ;
dbo:iupacName "6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole"@en ;
dbo:pubchem "50248"^^xsd:int ;
dbo:smiles "CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl" ;
dbp:inchikey "NQPDXQQQCQDHHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002463 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tcbdzl" ;
skos:prefLabel "triclabendazool"@nl .
csc:PGBHMTALBVVCIT-VCIWKGPPSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8378 ;
dbo:casNumber "11025-81-3" , "119-04-0" , "1393-86-8" ;
dbo:formula "C23H46N6O13" ;
dbo:inchi "InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1" ;
dbo:iupacName "(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol"@en ;
dbo:pubchem "8378"^^xsd:int ;
dbo:smiles "C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N" ;
dbp:inchikey "PGBHMTALBVVCIT-VCIWKGPPSA-N" ;
skos:broader csc:CHEMONTID_0003573 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "framctne" ;
skos:prefLabel "framycetine"@nl .
csc:UFHLMYOGRXOCSL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:39681 ;
dbo:casNumber "50512-35-1" ;
dbo:formula "C12H18O4S2" ;
dbo:inchi "InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3" ;
dbo:iupacName "dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate"@en ;
dbo:pubchem "39681"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C" ;
dbp:inchikey "UFHLMYOGRXOCSL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iptoln" ;
skos:prefLabel "isoprothiolan"@nl .
csc:LACXVZHAJMVESG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47651 ;
dbo:casNumber "65510-45-4" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-7(10(15)5-6)8-3-4-9(14)12(17)11(8)16/h1-5H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "47651"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "LACXVZHAJMVESG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB85" ;
skos:prefLabel "2,2',3,4,4'-pentachloorbifenyl"@nl .
csc:LTMQZVLXCLQPCT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:68057 ;
dbo:casNumber "475-03-6" ;
dbo:formula "C13H18" ;
dbo:inchi "InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3" ;
dbo:iupacName "4,4,7-trimethyl-2,3-dihydro-1H-naphthalene"@en ;
dbo:pubchem "68057"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)C(CCC2)(C)C" ;
dbp:inchikey "LTMQZVLXCLQPCT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1234T4H116TC" ;
skos:prefLabel "1,2,3,4-tetrahydro-1,1,6-trimethylnafthaleen"@nl .
csc:FIQMHBFVRAXMOP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13097 ;
dbo:casNumber "791-28-6" , "47027-44-1" ;
dbo:formula "C18H15OP" ;
dbo:inchi "InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ;
dbo:iupacName "['hydroxy-tri(phenyl)phosphanium', 'di(phenyl)phosphorylbenzene']"@en ;
dbo:pubchem "13097"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "FIQMHBFVRAXMOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001814 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TPPO" ;
skos:prefLabel "trifenylfosfineoxide"@nl .
csc:JNMRHUJNCSQMMB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5340 ;
dbo:casNumber "158269-46-6" , "6052-33-1" , "72-14-0" ;
dbo:formula "C9H9N3O2S2" ;
dbo:inchi "InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)" ;
dbo:iupacName "4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide"@en ;
dbo:pubchem "5340"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2" ;
dbp:inchikey "JNMRHUJNCSQMMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sulfathiazole"@nl .
csc:QYIXCDOBOSTCEI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3240 ;
dbo:casNumber "80-97-7" , "17608-41-2" , "136173-96-1" ;
dbo:formula "C27H48O" ;
dbo:inchi "InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3" ;
dbo:iupacName "10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "3240"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C" ;
dbp:inchikey "QYIXCDOBOSTCEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHcEsrol" ;
skos:prefLabel "dihydrocholesterol"@nl .
csc:CUVLMZNMSPJDON-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24752 ;
dbo:casNumber "59029-72-0" , "12612-71-4" , "220522-64-5" , "29911-28-2" , "158884-53-8" , "39364-15-3" , "9003-13-8" , "71714-72-2" , "83931-37-7" , "36563-43-6" , "30941-36-7" , "102646-52-6" , "57904-07-1" , "9007-07-2" , "37335-69-6" , "9009-42-1" , "39364-14-2" ;
dbo:formula "C10H22O3" ;
dbo:inchi "InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3" ;
dbo:iupacName "1-(1-butoxypropan-2-yloxy)propan-2-ol"@en ;
dbo:pubchem "24752"^^xsd:int ;
dbo:smiles "CCCCOCC(C)OCC(C)O" ;
dbp:inchikey "CUVLMZNMSPJDON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4OxplC3yegc" ;
skos:prefLabel "butoxypolypropyleenglycol"@nl .
csc:AMVYOVYGIJXTQB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:26576 ;
dbo:casNumber "14214-32-5" ;
dbo:formula "C16H18N2O3" ;
dbo:inchi "InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)" ;
dbo:iupacName "3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea"@en ;
dbo:pubchem "26576"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC" ;
dbp:inchikey "AMVYOVYGIJXTQB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfnxrn" ;
skos:prefLabel "difenoxuron"@nl .
csc:UXDDRFCJKNROTO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:66021 ;
dbo:casNumber "25395-31-7" , "102-62-5" , "29860-16-0" , "1300-63-6" , "101364-64-1" ;
dbo:formula "C7H12O5" ;
dbo:inchi "InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3" ;
dbo:iupacName "(1-acetyloxy-3-hydroxypropan-2-yl) acetate"@en ;
dbo:pubchem "66021"^^xsd:int ;
dbo:smiles "CC(=O)OCC(CO)OC(=O)C" ;
dbp:inchikey "UXDDRFCJKNROTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001644 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycrDactt" ;
skos:prefLabel "glyceroldiacetaat"@nl .
csc:RFJITKCIMOLCNP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:30001 ;
dbo:casNumber "20200-86-6" ;
dbo:formula "C11H13NO" ;
dbo:inchi "InChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13/h4-7H,1-3H3" ;
dbo:iupacName "1,3,3-trimethylindol-2-one"@en ;
dbo:pubchem "30001"^^xsd:int ;
dbo:smiles "CC1(C2=CC=CC=C2N(C1=O)C)C" ;
dbp:inchikey "RFJITKCIMOLCNP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000211 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "133TC1yoidl" ;
skos:prefLabel "1,3,3-trimethyloxindol"@nl .
csc:HRAQMGWTPNOILP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:90232 ;
dbo:casNumber "23676-09-7" ;
dbo:formula "C11H14O3" ;
dbo:inchi "InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "Ethyl 4-ethoxybenzoate"@en ;
dbo:pubchem "90232"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)C(=O)OCC" ;
dbp:inchikey "HRAQMGWTPNOILP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2oxC1ybenz" ;
skos:prefLabel "4-ethoxyethylbenzoezuur"@nl .
csc:LRUUNMYPIBZBQH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4690 ;
dbo:casNumber "20354-26-1" ;
dbo:formula "C9H6Cl2N2O3" ;
dbo:inchi "InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3" ;
dbo:iupacName "2-(3,4-Dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione"@en ;
dbo:pubchem "4690"^^xsd:int ;
dbo:smiles "CN1C(=O)N(OC1=O)C2=CC(=C(C=C2)Cl)Cl" ;
dbp:inchikey "LRUUNMYPIBZBQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metzl" ;
skos:prefLabel "methazol"@nl .
csc:YAPQBXQYLJRXSA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5429 ;
dbo:casNumber "83-67-0" ;
dbo:formula "C7H8N4O2" ;
dbo:inchi "InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)" ;
dbo:iupacName "3,7-dimethylpurine-2,6-dione"@en ;
dbo:pubchem "5429"^^xsd:int ;
dbo:smiles "CN1C=NC2=C1C(=O)NC(=O)N2C" ;
dbp:inchikey "YAPQBXQYLJRXSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "theobmne" ;
skos:prefLabel "theobromine"@nl .
csc:KMXFZRSJMDYPPG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23494 ;
dbo:casNumber "7098-22-8" ;
dbo:formula "C44H90" ;
dbo:inchi "InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3" ;
dbo:iupacName "TETRATETRACONTANE"@en ;
dbo:pubchem "23494"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "KMXFZRSJMDYPPG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C44a" ;
skos:prefLabel "tetratetracontaan"@nl .
csc:VHFVKMTVMIZMIK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1355 ;
dbo:casNumber "6640-24-0" ;
dbo:formula "C10H13ClN2" ;
dbo:inchi "InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2" ;
dbo:iupacName "1-(3-Chlorophenyl)piperazine"@en ;
dbo:pubchem "1355"^^xsd:int ;
dbo:smiles "C1CN(CCN1)C2=CC(=CC=C2)Cl" ;
dbp:inchikey "VHFVKMTVMIZMIK-UHFFFAOYSA-N" ;
skos:altLabel "1-(3-Chloorfenyl)piperazine"@nl ;
skos:broader csc:CHEMONTID_0001984 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13ClFypprzne" ;
skos:prefLabel "1-(3-chloorfenyl)piperazine"@nl .
csc:HOLGXWDGCVTMTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15075 ;
dbo:casNumber "1454-80-4" ;
dbo:formula "C12H12N2" ;
dbo:inchi "InChI=1S/C12H12N2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,13-14H2" ;
dbo:iupacName "2-(2-aminophenyl)aniline"@en ;
dbo:pubchem "15075"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=CC=CC=C2N)N" ;
dbp:inchikey "HOLGXWDGCVTMTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "obenzdne" ;
skos:prefLabel "o-benzidine"@nl .
csc:WSFSSNUMVMOOMR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II (D5, diverse art)"@nl , "VLAR II bijl. 4.4.2"@nl , "VLAR III (D3, diverse art) "@nl ;
rdfs:seeAlso compound:712 ;
dbo:casNumber "53026-80-5" , "8005-38-7" , "8013-13-6" , "50-00-0" , "12795-06-1" , "112068-71-0" , "8006-07-3" , "30525-89-4" ;
dbo:formula "CH2O" ;
dbo:inchi "InChI=1S/CH2O/c1-2/h1H2" ;
dbo:iupacName "FORMALDEHYDE"@en ;
dbo:pubchem "712"^^xsd:int ;
dbo:smiles "C=O" ;
dbp:inchikey "WSFSSNUMVMOOMR-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_004 ;
skos:altLabel "paraformaldehyde"@nl , "formaldehyde"@nl ;
skos:broader csc:CHEMONTID_0001831 ;
skos:exactMatch wise:CAS_50-00-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "parfAh" , "C1al" ;
skos:prefLabel "methanal (formaldehyde)"@nl ;
vcs:vmmParameterId "846"^^xsd:int .
csc:RAHZWNYVWXNFOC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1119 ;
dbo:casNumber "83008-56-4" , "7446-09-5" , "89125-89-3" , "12396-99-5" , "12624-32-7" , "8014-94-6" ;
dbo:formula "O2S" ;
dbo:inchi "InChI=1S/O2S/c1-3-2" ;
dbo:iupacName "Sulfur dioxide"@en ;
dbo:pubchem "1119"^^xsd:int ;
dbo:smiles "O=S=O" ;
dbp:inchikey "RAHZWNYVWXNFOC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:CMA_2_III_E , co:LUC_III_008 ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SO2" ;
skos:prefLabel "zwaveldioxide"@nl .
csc:NBBZMDUHKWRYSZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19526 ;
dbo:casNumber "3735-92-0" ;
dbo:formula "C4H9NS2" ;
dbo:inchi "InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3" ;
dbo:iupacName "methyl dimethylaminomethanedithioate"@en ;
dbo:pubchem "19526"^^xsd:int ;
dbo:smiles "CN(C)C(=S)SC" ;
dbp:inchikey "NBBZMDUHKWRYSZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003936 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yDC1yDtocb" ;
skos:prefLabel "methyl dimethyldithiocarbamaat"@nl .
csc:NZUPQBVDIWCPBX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:42139 ;
dbo:casNumber "57117-42-7" , "57117-43-8" ;
dbo:formula "C12H3Cl5O" ;
dbo:inchi "InChI=1S/C12H3Cl5O/c13-5-2-1-4-8-7(18-12(4)10(5)16)3-6(14)9(15)11(8)17/h1-3H" ;
dbo:iupacName "1,2,3,6,7-PENTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "42139"^^xsd:int ;
dbo:smiles "C1=CC(=C(C2=C1C3=C(C(=C(C=C3O2)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "NZUPQBVDIWCPBX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003029 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF112" ;
skos:prefLabel "2,3,4,6,7-pentachloordibenzofuraan"@nl .
csc:VQMWBBYLQSCNPO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23944 ;
dbo:casNumber "22541-16-8" , "7440-12-2" ;
dbo:formula "Pm" ;
dbo:inchi "InChI=1S/Pm" ;
dbo:iupacName "PROMETHIUM"@en ;
dbo:pubchem "23944"^^xsd:int ;
dbo:smiles "[Pm]" ;
dbp:inchikey "VQMWBBYLQSCNPO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pm" ;
skos:prefLabel "promethium"@nl .
csc:BGRJTUBHPOOWDU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5355 ;
dbo:casNumber "23672-07-3" , "15676-16-1" ;
dbo:formula "C15H23N3O4S" ;
dbo:inchi "InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)" ;
dbo:iupacName "N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide"@en ;
dbo:pubchem "5355"^^xsd:int ;
dbo:smiles "CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC" ;
dbp:inchikey "BGRJTUBHPOOWDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulprde" ;
skos:prefLabel "sulpiride"@nl .
csc:UPMXNNIRAGDFEH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15531 ;
dbo:casNumber "1689-84-5" ;
dbo:formula "C7H3Br2NO" ;
dbo:inchi "InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H" ;
dbo:iupacName "3,5-Dibromo-4-hydroxybenzonitrile"@en ;
dbo:pubchem "15531"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Br)O)Br)C#N" ;
dbp:inchikey "UPMXNNIRAGDFEH-UHFFFAOYSA-N" ;
skos:altLabel "bromoxynil"@nl ;
skos:broader csc:CHEMONTID_0001530 ;
skos:exactMatch wise:CAS_1689-84-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrOxnl" ;
skos:prefLabel "broomoxynil"@nl ;
vcs:vmmParameterId "457"^^xsd:int .
csc:OSGAYBCDTDRGGQ-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24497 ;
dbo:casNumber "23296-15-3" , "151621-69-1" , "326855-67-8" , "146522-67-0" , "99400-01-8" , "7778-18-9" ;
dbo:formula "CaO4S" ;
dbo:inchi "InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ;
dbo:iupacName "CALCIUM SULFATE"@en ;
dbo:pubchem "24497"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Ca+2]" ;
dbp:inchikey "OSGAYBCDTDRGGQ-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000699 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaSO4" ;
skos:prefLabel "calciumsulfaat"@nl .
csc:GOOHAUXETOMSMM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6378 ;
dbo:casNumber "75-56-9" , "16033-71-9" ;
dbo:formula "C3H6O" ;
dbo:inchi "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" ;
dbo:iupacName "2-methyloxirane"@en ;
dbo:pubchem "6378"^^xsd:int ;
dbo:smiles "CC1CO1" ;
dbp:inchikey "GOOHAUXETOMSMM-UHFFFAOYSA-N" ;
skos:altLabel "propyleenoxide"@nl ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3yeO" ;
skos:prefLabel "1,2-epoxypropaan"@nl .
csc:ZKGSEEWIVLAUNH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:63102 ;
dbo:casNumber "74338-24-2" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-3-1-2-7(6-8)9-4-5-10(14)12(16)11(9)15/h1-6H" ;
dbo:iupacName "1,2,3-trichloro-4-(3-chlorophenyl)benzene"@en ;
dbo:pubchem "63102"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "ZKGSEEWIVLAUNH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB55" ;
skos:prefLabel "2,3,3',4-tetrachloorbifenyl"@nl .
csc:OYHQOLUKZRVURQ-HZJYTTRNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280450 ;
dbo:casNumber "506-21-8" , "8024-22-4" , "2197-37-7" , "60-33-3" , "80969-37-5" , "17966-12-0" ;
dbo:formula "C18H32O2" ;
dbo:inchi "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-" ;
dbo:iupacName "(9Z,12Z)-octadeca-9,12-dienoic acid"@en ;
dbo:pubchem "5280450"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCCCCCCCC(=O)O" ;
dbp:inchikey "OYHQOLUKZRVURQ-HZJYTTRNSA-N" ;
skos:altLabel "linolzuur"@nl ;
skos:broader csc:CHEMONTID_0000504 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t912C18aDzr" , "linzr" ;
skos:prefLabel "trans-9,12-octadecadieenzuur"@nl .
csc:GISVICWQYMUPJF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61814 ;
dbo:casNumber "15764-16-6" ;
dbo:formula "C9H10O" ;
dbo:inchi "InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3" ;
dbo:iupacName "2,4-Dimethylbenzaldehyde"@en ;
dbo:pubchem "61814"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C=O)C" ;
dbp:inchikey "GISVICWQYMUPJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yBenAh" ;
skos:prefLabel "2,4-dimethylbenzaldehyde"@nl .
csc:ZCWXYZBQDNFULS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:74218 ;
dbo:casNumber "1635-61-6" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2" ;
dbo:iupacName "5-Chloro-2-nitroaniline"@en ;
dbo:pubchem "74218"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]" ;
dbp:inchikey "ZCWXYZBQDNFULS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5Cl2NO2An" ;
skos:prefLabel "5-chloor-2-nitroaniline"@nl .
csc:ACTOXUHEUCPTEW-KWBWCIJSSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6440717 ;
dbo:casNumber "13441-34-4" , "50762-61-3" , "13430-00-7" , "67262-35-5" , "24916-50-5" , "1403-57-2" , "1405-25-0" , "2517-38-6" ;
dbo:formula "C43H74N2O14" ;
dbo:inchi "InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1" ;
dbo:iupacName "2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde"@en ;
dbo:pubchem "6440717"^^xsd:int ;
dbo:smiles "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C" ;
dbp:inchikey "ACTOXUHEUCPTEW-KWBWCIJSSA-N" ;
skos:altLabel "spiramycine I"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmcI" ;
skos:prefLabel "spiramycine i"@nl .
csc:TZRXHJWUDPFEEY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6518 ;
dbo:casNumber "103842-90-6" , "53025-84-6" , "108736-71-6" , "78-11-5" ;
dbo:formula "C5H8N4O12" ;
dbo:inchi "InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2" ;
dbo:iupacName "[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate"@en ;
dbo:pubchem "6518"^^xsd:int ;
dbo:smiles "C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-]" ;
dbp:inchikey "TZRXHJWUDPFEEY-UHFFFAOYSA-N" ;
skos:altLabel "pentaerythritoltetranitraat (PETN)"@nl ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeerttT4NO3" ;
skos:prefLabel "pentaerythritoltetranitraat (petn)"@nl .
csc:GMAUQNJOSOMMHI-JXAWBTAJSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9576091 ;
dbo:casNumber "83130-01-2" ;
dbo:formula "C17H25N3O4S2" ;
dbo:inchi "InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-" ;
dbo:iupacName "ethyl 3-[[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanyl-(phenylmethyl)amino]propanoate"@en ;
dbo:pubchem "9576091"^^xsd:int ;
dbo:smiles "CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)ON=C(C)SC" ;
dbp:inchikey "GMAUQNJOSOMMHI-JXAWBTAJSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alncb" ;
skos:prefLabel "alanycarb"@nl .
csc:CETPSERCERDGAM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:73963 ;
dbo:casNumber "385781-69-1" , "1306-38-3" ;
dbo:formula "CeO2" ;
dbo:inchi "InChI=1S/Ce.2O" ;
dbo:iupacName "dioxocerium"@en ;
dbo:pubchem "73963"^^xsd:int ;
dbo:smiles "O=[Ce]=O" ;
dbp:inchikey "CETPSERCERDGAM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000542 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CeO2" ;
skos:prefLabel "ceriumoxide"@nl .
csc:DFWFIQKMSFGDCQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22563 ;
dbo:casNumber "6190-65-4" ;
dbo:formula "C6H10ClN5" ;
dbo:inchi "InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)" ;
dbo:iupacName "6-chloro-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "22563"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)N)Cl" ;
dbp:inchikey "DFWFIQKMSFGDCQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:exactMatch wise:CAS_6190-65-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desC2yatzne" ;
skos:prefLabel "desethylatrazine"@nl ;
vcs:vmmParameterId "271"^^xsd:int .
csc:CSHWQDPOILHKBI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9142 ;
dbo:casNumber "198-55-0" , "77392-71-3" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H" ;
dbo:iupacName "Perylene"@en ;
dbo:pubchem "9142"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2" ;
dbp:inchikey "CSHWQDPOILHKBI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:exactMatch wise:CAS_198-55-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pe" ;
skos:prefLabel "peryleen"@nl ;
vcs:vmmParameterId "797"^^xsd:int .
csc:NYRMIJKDBAQCHC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91755 ;
dbo:casNumber "96525-23-4" ;
dbo:formula "C18H14F3NO2" ;
dbo:inchi "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" ;
dbo:iupacName "5-methylamino-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one"@en ;
dbo:pubchem "91755"^^xsd:int ;
dbo:smiles "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" ;
dbp:inchikey "NYRMIJKDBAQCHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flrtmn" ;
skos:prefLabel "flurtamon"@nl .
csc:YTZKOQUCBOVLHL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7366 ;
dbo:casNumber "98-06-6" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3" ;
dbo:iupacName "tert-Butylbenzene"@en ;
dbo:pubchem "7366"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=CC=C1" ;
dbp:inchikey "YTZKOQUCBOVLHL-UHFFFAOYSA-N" ;
skos:altLabel "tert-butylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_98-06-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ttC4yBen" ;
skos:prefLabel "tertiair-butylbenzeen"@nl ;
vcs:vmmParameterId "547"^^xsd:int .
csc:LHTCFGRXHNJRBP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:94600 ;
dbo:casNumber "82376-08-7" , "61827-42-7" ;
dbo:formula "C12H26O2" ;
dbo:inchi "InChI=1S/C12H26O2/c1-12(2)8-6-4-3-5-7-10-14-11-9-13/h12-13H,3-11H2,1-2H3" ;
dbo:iupacName "2-(8-methylnonoxy)ethanol"@en ;
dbo:pubchem "94600"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCCOCCO" ;
dbp:inchikey "LHTCFGRXHNJRBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "geetxldiC10y" ;
skos:prefLabel "ge\uFFFDthoxyleerde isodecylalcohol"@nl .
csc:VVAQOYUUECXZAZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26713 ;
dbo:casNumber "14488-53-0" ;
dbo:formula "C8H18Sn" ;
dbo:inchi "InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;/q2*-1;+2" ;
dbo:iupacName "butane; tin(+2) cation"@en ;
dbo:pubchem "26713"^^xsd:int ;
dbo:smiles "CCC[CH2-].CCC[CH2-].[Sn+2]" ;
dbp:inchikey "VVAQOYUUECXZAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003865 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4ySn" ;
skos:prefLabel "dibutyltin (kation)"@nl .
csc:PXHVJJICTQNCMI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR bijl. 2.5.8.1 'Nikkel'"@nl , "VLAR II bijl. 4.4.2 'nikkel en zijn verbindingen, uitgedrukt in Ni'"@nl , "VLAR III (D3) 'Nikkel'"@nl , "VLAR III (D3) 'Nikkel en de verbindingen daarvan, uitgedrukt als nikkel (Ni)'"@nl , "VLAR II (D5) 'nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)'"@nl , "VLAR III (D3, diverse art) 'Ni'"@nl , "VLAR II (D2/D5) 'nikkel'"@nl , "VLAR II bijl. 4.4.2 nikkel (nikkelmetaal, nikkelsulfide en sulfidische ertsen, nikkeloxide en nikkelcarbonaat, nikkeltetracarbonyl), uitgedrukt in Ni'"@nl ;
rdfs:seeAlso compound:935 ;
dbo:casNumber "195161-84-3" , "39303-46-3" , "53527-81-4" , "68412-20-4" , "7440-02-0" , "8049-31-8" , "21595-53-9" , "112084-17-0" , "17375-04-1" , "14903-34-5" ;
dbo:formula "Ni" ;
dbo:inchi "InChI=1S/Ni" ;
dbo:iupacName "Nickel"@en ;
dbo:pubchem "935"^^xsd:int ;
dbo:smiles "[Ni]" ;
dbp:inchikey "PXHVJJICTQNCMI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "nikkel (ni)"@nl , "nikkel"@nl , "Nikkel (Ni)"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)"@nl ;
skos:exactMatch wise:CAS_7440-02-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ni" ;
skos:prefLabel "nikkel, opgelost"@nl ;
vcs:vmmParameterId "1953"^^xsd:int , "178"^^xsd:int , "179"^^xsd:int , "180"^^xsd:int .
csc:DZUPKTNAUCDVTL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:35736 ;
dbo:casNumber "31120-85-1" ;
dbo:formula "C15H24NO5P" ;
dbo:inchi "InChI=1S/C15H24NO5P/c1-6-19-22(18,16-11(2)3)21-14-10-8-7-9-13(14)15(17)20-12(4)5/h7-12H,6H2,1-5H3,(H,16,18)" ;
dbo:iupacName "propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphoryl]oxybenzoate"@en ;
dbo:pubchem "35736"^^xsd:int ;
dbo:smiles "CCOP(=O)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C" ;
dbp:inchikey "DZUPKTNAUCDVTL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iffOon" ;
skos:prefLabel "isofenfos-oxon"@nl .
csc:BCQMBFHBDZVHKU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:36584 ;
dbo:casNumber "33693-04-8" ;
dbo:formula "C10H19N5O" ;
dbo:inchi "InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "N-tert-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "36584"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)OC)NC(C)(C)C" ;
dbp:inchikey "BCQMBFHBDZVHKU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbmtn" ;
skos:prefLabel "terbumeton"@nl .
csc:NEVMZYLKPFGDJB-OWOJBTEDSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6433355 ;
dbo:casNumber "2971-38-2" ;
dbo:formula "C12H11Cl3O3" ;
dbo:inchi "InChI=1S/C12H11Cl3O3/c13-5-1-2-6-17-12(16)8-18-11-4-3-9(14)7-10(11)15/h1-4,7H,5-6,8H2/b2-1+" ;
dbo:iupacName "[(E)-4-chlorobut-2-enyl] 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "6433355"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)OCC(=O)OCC=CCCl" ;
dbp:inchikey "NEVMZYLKPFGDJB-OWOJBTEDSA-N" ;
skos:altLabel "2,4-d chloorcrotyl-ester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClctEsr" ;
skos:prefLabel "2,4-D chloorcrotyl-ester"@nl .
csc:QLFZZSKTJWDQOS-NJPOTTGESA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6436133 ;
dbo:casNumber "117704-25-3" ;
dbo:formula "C50H74O14" ;
dbo:inchi "InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44?,45-,46?,47+,49+,50+/m0/s1" ;
dbo:iupacName "(1'R,2R,3S,4'S,6S,8'R,10'E,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one"@en ;
dbo:pubchem "6436133"^^xsd:int ;
dbo:smiles "CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C8CCCCC8)C)O" ;
dbp:inchikey "QLFZZSKTJWDQOS-NJPOTTGESA-N" ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dormtne" ;
skos:prefLabel "doramectine"@nl .
csc:VYZAHLCBVHPDDF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6 ;
dbo:casNumber "97-00-7" ;
dbo:formula "C6H3ClN2O4" ;
dbo:inchi "InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H" ;
dbo:iupacName "1-chloro-2,4-dinitrobenzene"@en ;
dbo:pubchem "6"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl" ;
dbp:inchikey "VYZAHLCBVHPDDF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_97-00-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Cl24DNO2Ben" ;
skos:prefLabel "1-chloor-2,4-dinitrobenzeen"@nl ;
vcs:vmmParameterId "330"^^xsd:int .
csc:HEZNVIYQEUHLNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:34766 ;
dbo:casNumber "29973-13-5" , "56730-58-6" , "56729-20-5" ;
dbo:formula "C11H15NO2S" ;
dbo:inchi "InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)" ;
dbo:iupacName "[2-(ethylsulfanylmethyl)phenyl] N-methylcarbamate"@en ;
dbo:pubchem "34766"^^xsd:int ;
dbo:smiles "CCSCC1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "HEZNVIYQEUHLNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etofcb" ;
skos:prefLabel "ethiofencarb"@nl .
csc:YUIKUTLBPMDDNQ-MRVPVSSYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5483847 ;
dbo:casNumber "114420-56-3" ;
dbo:formula "C14H11ClFNO4" ;
dbo:inchi "InChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1" ;
dbo:iupacName "(2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid"@en ;
dbo:pubchem "5483847"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F" ;
dbp:inchikey "YUIKUTLBPMDDNQ-MRVPVSSYSA-N" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clodnfp" ;
skos:prefLabel "clodinafop"@nl .
csc:SRONXYPFSAKOGH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:67525 ;
dbo:casNumber "295-48-7" ;
dbo:formula "C15H30" ;
dbo:inchi "InChI=1S/C15H30/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h1-15H2" ;
dbo:iupacName "Cyclopentadecane"@en ;
dbo:pubchem "67525"^^xsd:int ;
dbo:smiles "C1CCCCCCCCCCCCCC1" ;
dbp:inchikey "SRONXYPFSAKOGH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC15a" ;
skos:prefLabel "cyclopentadecaan"@nl .
csc:HGBOYTHUEUWSSQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8063 ;
dbo:casNumber "110-62-3" ;
dbo:formula "C5H10O" ;
dbo:inchi "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" ;
dbo:iupacName "Pentanal"@en ;
dbo:pubchem "8063"^^xsd:int ;
dbo:smiles "CCCCC=O" ;
dbp:inchikey "HGBOYTHUEUWSSQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C5al" ;
skos:prefLabel "pentanal (n-valeraldehyde)"@nl .
csc:IEMMBWWQXVXBEU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14505 ;
dbo:casNumber "1192-62-7" , "80145-44-4" ;
dbo:formula "C6H6O2" ;
dbo:inchi "InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3" ;
dbo:iupacName "1-furan-2-ylethanone"@en ;
dbo:pubchem "14505"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=CO1" ;
dbp:inchikey "IEMMBWWQXVXBEU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2actfrn" ;
skos:prefLabel "2-acetylfuran"@nl .
csc:YKFKEYKJGVSEIX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7392 ;
dbo:casNumber "98-53-3" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3" ;
dbo:iupacName "4-tert-butylcyclohexan-1-one"@en ;
dbo:pubchem "7392"^^xsd:int ;
dbo:smiles "CC(C)(C)C1CCC(=O)CC1" ;
dbp:inchikey "YKFKEYKJGVSEIX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC4yccC6on" ;
skos:prefLabel "4-tert-butylcyclohexanon"@nl .
csc:ODPOAESBSUKMHD-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6794 ;
dbo:casNumber "85-00-7" , "66630-68-0" , "34417-68-0" ;
dbo:formula "C12H12Br2N2" ;
dbo:inchi "InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2" ;
dbo:iupacName "7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide"@en ;
dbo:pubchem "6794"^^xsd:int ;
dbo:smiles "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]" ;
dbp:inchikey "ODPOAESBSUKMHD-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001764 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DqBr" ;
skos:prefLabel "diquatdibromide"@nl .
csc:BKIMMITUMNQMOS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:8141 ;
dbo:casNumber "61193-19-9" , "111-84-2" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" ;
dbo:iupacName "Nonane"@en ;
dbo:pubchem "8141"^^xsd:int ;
dbo:smiles "CCCCCCCCC" ;
dbp:inchikey "BKIMMITUMNQMOS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_006 , co:LUC_IV_000 , co:LUC_IV_011 ;
skos:altLabel "nonaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C9a" ;
skos:prefLabel "n-nonaan"@nl .
csc:GBNHEBQXJVDXSW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11859 ;
dbo:casNumber "609-19-8" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H" ;
dbo:iupacName "3,4,5-Trichlorophenol"@en ;
dbo:pubchem "11859"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)O" ;
dbp:inchikey "GBNHEBQXJVDXSW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_609-19-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "345TClFol" ;
skos:prefLabel "3,4,5-trichloorfenol"@nl ;
vcs:vmmParameterId "354"^^xsd:int .
csc:UCLKLGIYGBLTSM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40234 ;
dbo:casNumber "52112-04-6" , "52712-04-6" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-1-2-8(14)6(3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "40234"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "UCLKLGIYGBLTSM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB141" ;
skos:prefLabel "2,2',3,4,5,5'-hexachloorbifenyl"@nl .
csc:CZRWOPRGDPUSDE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:295655 ;
dbo:casNumber "17790-81-7" ;
dbo:formula "C5H7BrO3" ;
dbo:inchi "InChI=1S/C5H7BrO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3" ;
dbo:iupacName "Methyl 4-bromo-3-oxobutanoate"@en ;
dbo:pubchem "295655"^^xsd:int ;
dbo:smiles "COC(=O)CC(=O)CBr" ;
dbp:inchikey "CZRWOPRGDPUSDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001114 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y4Bractact" ;
skos:prefLabel "methyl-4-broomacetoacetaat"@nl .
csc:IKTHMQYJOWTSJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61585 ;
dbo:casNumber "88401-65-4" , "13171-00-1" ;
dbo:formula "C17H24O" ;
dbo:inchi "InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3" ;
dbo:iupacName "1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone"@en ;
dbo:pubchem "61585"^^xsd:int ;
dbo:smiles "CC(=O)C1=C2CCC(C2=CC(=C1)C(C)(C)C)(C)C" ;
dbp:inchikey "IKTHMQYJOWTSJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000027 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ADBI" ;
skos:prefLabel "celestolide"@nl .
csc:CQEYYJKEWSMYFG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8846 ;
dbo:casNumber "86090-89-3" , "141-32-2" , "220713-31-5" , "164251-78-9" , "56257-66-0" , "81989-46-0" , "62362-39-4" , "9003-49-0" , "71343-67-4" , "126492-54-4" , "112790-39-3" ;
dbo:formula "C7H12O2" ;
dbo:inchi "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3" ;
dbo:iupacName "butyl prop-2-enoate"@en ;
dbo:pubchem "8846"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C=C" ;
dbp:inchikey "CQEYYJKEWSMYFG-UHFFFAOYSA-N" ;
skos:altLabel "n-butylacrylaat"@nl ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yaclt" ;
skos:prefLabel "butylacrylaat"@nl .
csc:XMBWDFGMSWQBCA-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104800 ;
dbo:casNumber "14158-31-7" ;
dbo:formula "HI" ;
dbo:inchi "InChI=1S/HI/h1H/i1-2" ;
dbo:iupacName "Iodane-125"@en ;
dbo:pubchem "104800"^^xsd:int ;
dbo:smiles "I" ;
dbp:inchikey "XMBWDFGMSWQBCA-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000548 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I125" ;
skos:prefLabel "jodium 125"@nl .
csc:YQEMORVAKMFKLG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:79075 ;
dbo:casNumber "621-61-4" ;
dbo:formula "C21H42O4" ;
dbo:inchi "InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3" ;
dbo:iupacName "1,3-dihydroxypropan-2-yl octadecanoate"@en ;
dbo:pubchem "79075"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO" ;
dbp:inchikey "YQEMORVAKMFKLG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001603 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DHOxC3a2yC" ;
skos:prefLabel "1,3-dihydroxypropaan-2-yl-octadecanoaat"@nl .
csc:IVSZLXZYQVIEFR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'xylenen'"@nl ;
rdfs:seeAlso compound:7929 ;
dbo:casNumber "68908-87-2" , "1330-20-7" , "108-38-3" ;
dbo:formula "C8H10" ;
dbo:inchi "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" ;
dbo:iupacName "1,3-Dimethylbenzene"@en ;
dbo:pubchem "7929"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C" ;
dbp:inchikey "IVSZLXZYQVIEFR-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_001 , co:LUC_IV_000 ;
skos:altLabel "xylenen"@nl , "1,3-xyleen"@nl , "xylenen (o+m+p)"@nl , "m-xyleen"@nl ;
skos:broader csc:CHEMONTID_0004209 ;
skos:exactMatch wise:CAS_108-38-3 , wise:CAS_1330-20-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13xyln" ;
skos:prefLabel "meta-xyleen"@nl ;
vcs:vmmParameterId "526"^^xsd:int , "215"^^xsd:int .
csc:CWRYPZZKDGJXCA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6734 ;
dbo:casNumber "83-32-9" ;
dbo:formula "C12H10" ;
dbo:inchi "InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2" ;
dbo:iupacName "Acenaphthene"@en ;
dbo:pubchem "6734"^^xsd:int ;
dbo:smiles "C1CC2=CC=CC3=C2C1=CC=C3" ;
dbp:inchikey "CWRYPZZKDGJXCA-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_83-32-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AcNe" ;
skos:prefLabel "acenafteen"@nl ;
vcs:vmmParameterId "1419"^^xsd:int , "418"^^xsd:int .
csc:GCKZANITAMOIAR-XWVCPFKXSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11650986 ;
dbo:casNumber "155569-91-8" ;
dbo:formula "C56H81NO15" ;
dbo:inchi "InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1" ;
dbo:iupacName "benzoic acid;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one"@en ;
dbo:pubchem "11650986"^^xsd:int ;
dbo:smiles "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C.C1=CC=C(C=C1)C(=O)O" ;
dbp:inchikey "GCKZANITAMOIAR-XWVCPFKXSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "emmtbzat" ;
skos:prefLabel "emamectin-benzoaat"@nl .
csc:AQHHHDLHHXJYJD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4946 ;
dbo:casNumber "525-66-6" , "13013-17-7" ;
dbo:formula "C16H21NO2" ;
dbo:inchi "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3" ;
dbo:iupacName "1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "4946"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O" ;
dbp:inchikey "AQHHHDLHHXJYJD-UHFFFAOYSA-N" ;
skos:altLabel "propranolol"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_525-66-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propnll" ;
skos:prefLabel "propanolol"@nl ;
vcs:vmmParameterId "1407"^^xsd:int .
csc:JBIROUFYLSSYDX-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8753 ;
dbo:casNumber "67377-59-7" , "8038-88-8" , "78565-22-7" , "51796-11-3" , "10328-35-5" , "139-07-1" , "95078-12-9" , "107397-84-2" ;
dbo:formula "C21H38ClN" ;
dbo:inchi "InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dodecyl-dimethylazanium chloride"@en ;
dbo:pubchem "8753"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "JBIROUFYLSSYDX-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003977 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DDBAC" ;
skos:prefLabel "dodecyldimethylbenzylammoniumchloride"@nl .
csc:MLGCXEBRWGEOQX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8305 ;
dbo:casNumber "116-29-0" ;
dbo:formula "C12H6Cl4O2S" ;
dbo:inchi "InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H" ;
dbo:iupacName "1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene"@en ;
dbo:pubchem "8305"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "MLGCXEBRWGEOQX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4Dfn" ;
skos:prefLabel "tetradifon"@nl .
csc:FUZZWVXGSFPDMH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8892 ;
dbo:casNumber "68603-84-9" , "13476-79-4" , "67762-36-1" , "53896-26-7" , "16571-42-9" , "19455-00-6" , "8040-17-3" , "142-62-1" , "70248-25-8" , "51109-46-7" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" ;
dbo:iupacName "Hexanoic acid"@en ;
dbo:pubchem "8892"^^xsd:int ;
dbo:smiles "CCCCCC(=O)O" ;
dbp:inchikey "FUZZWVXGSFPDMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6azr" ;
skos:prefLabel "hexaanzuur"@nl .
csc:TUGYIJVAYAHHHM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9106 ;
dbo:casNumber "189-55-9" ;
dbo:formula "C24H14" ;
dbo:inchi "InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H" ;
dbo:iupacName "hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20(24),21-dodecaene"@en ;
dbo:pubchem "9106"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=CC=CC=C6C(=C54)C=C3" ;
dbp:inchikey "TUGYIJVAYAHHHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000316 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBalP" ;
skos:prefLabel "dibenzo(a,l)pyreen"@nl .
csc:HBJOXQRURQPDEX-MHXMMLMNSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:157385 ;
dbo:casNumber "79548-73-5" ;
dbo:formula "C17H31ClN2O5S" ;
dbo:inchi "InChI=1S/C17H31ClN2O5S/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8-,9+,10-,11+,12-,13+,14+,15+,17+/m0/s1" ;
dbo:iupacName "(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide"@en ;
dbo:pubchem "157385"^^xsd:int ;
dbo:smiles "CCC1CCNC(C1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl" ;
dbp:inchikey "HBJOXQRURQPDEX-MHXMMLMNSA-N" ;
skos:broader csc:CHEMONTID_0002309 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "pirlimycine"@nl .
csc:OFBQJSOFQDEBGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:8003 ;
dbo:casNumber "68647-60-9" , "8031-35-4" , "109-66-0" , "68476-43-7" , "68475-60-5" , "68476-55-1" , "102056-77-9" ;
dbo:formula "C5H12" ;
dbo:inchi "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" ;
dbo:iupacName "Pentane"@en ;
dbo:pubchem "8003"^^xsd:int ;
dbo:smiles "CCCCC" ;
dbp:inchikey "OFBQJSOFQDEBGM-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_006 ;
skos:altLabel "pentaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C5a" ;
skos:prefLabel "n-pentaan"@nl .
csc:YQEZLKZALYSWHR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3821 ;
dbo:casNumber "33643-45-7" , "6740-88-1" , "79499-51-7" , "100477-72-3" ;
dbo:formula "C13H16ClNO" ;
dbo:inchi "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3" ;
dbo:iupacName "2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one"@en ;
dbo:pubchem "3821"^^xsd:int ;
dbo:smiles "CNC1(CCCCC1=O)C2=CC=CC=C2Cl" ;
dbp:inchikey "YQEZLKZALYSWHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ketAe" ;
skos:prefLabel "ketamine"@nl .
csc:MEXUFEQDCXZEON-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9625 ;
dbo:casNumber "353-59-3" , "11104-73-7" ;
dbo:formula "CBrClF2" ;
dbo:inchi "InChI=1S/CBrClF2/c2-1(3,4)5" ;
dbo:iupacName "bromo-chloro-difluoromethane"@en ;
dbo:pubchem "9625"^^xsd:int ;
dbo:smiles "C(F)(F)(Cl)Br" ;
dbp:inchikey "MEXUFEQDCXZEON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halon1211" ;
skos:prefLabel "broomchloordifluormethaan"@nl .
csc:JAHJITLFJSDRCG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40485 ;
dbo:casNumber "55722-26-4" , "31472-83-0" , "11064-17-8" , "52663-78-2" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "40485"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "JAHJITLFJSDRCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB195" ;
skos:prefLabel "2,2',3,3',4,4',5,6-octachloorbifenyl"@nl .
csc:OYGQVDSRYXATEL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67820 ;
dbo:casNumber "375-92-8" ;
dbo:formula "C7HF15O3S" ;
dbo:inchi "InChI=1S/C7HF15O3S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H,23,24,25)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid"@en ;
dbo:pubchem "67820"^^xsd:int ;
dbo:smiles "C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F" ;
dbp:inchikey "OYGQVDSRYXATEL-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-1-heptaansulfonzuur"@nl , "perfluor-n-heptaansulfonzuur (pfhps)"@nl , "perfluor-n-heptaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFHpS" , "L_PFHpS" ;
skos:prefLabel "perfluorheptaansulfonzuur (pfhps)"@nl .
csc:HXDOZKJGKXYMEW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31242 ;
dbo:casNumber "24979-70-2" , "123-07-9" , "29471-88-3" , "101052-19-1" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3" ;
dbo:iupacName "4-Ethylphenol"@en ;
dbo:pubchem "31242"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)O" ;
dbp:inchikey "HXDOZKJGKXYMEW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004646 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2yFol" ;
skos:prefLabel "4-ethylfenol"@nl .
csc:IPPAUTOBDWNELX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:53672 ;
dbo:casNumber "77501-90-7" ;
dbo:formula "C18H13ClF3NO7" ;
dbo:inchi "InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3" ;
dbo:iupacName "(2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate"@en ;
dbo:pubchem "53672"^^xsd:int ;
dbo:smiles "CCOC(=O)COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]" ;
dbp:inchikey "IPPAUTOBDWNELX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluogcfnC2y" ;
skos:prefLabel "fluorglycofen-ethyl"@nl .
csc:ZIMCZOLRXKPXLN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:121601 ;
dbo:casNumber "29956-99-8" ;
dbo:formula "C16H34S2" ;
dbo:inchi "InChI=1S/C16H34S2/c1-13(2,3)11-15(7,8)17-18-16(9,10)12-14(4,5)6/h11-12H2,1-10H3" ;
dbo:iupacName "2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yldisulfanyl)pentane"@en ;
dbo:pubchem "121601"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C" ;
dbp:inchikey "ZIMCZOLRXKPXLN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis1133T4C1y" ;
skos:prefLabel "bis(1,1,3,3-tetramethylbutyl) disulfide"@nl .
csc:BGCSUUSPRCDKBQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:78951 ;
dbo:casNumber "126-54-5" ;
dbo:formula "C7H12O4" ;
dbo:inchi "InChI=1S/C7H12O4/c1-7(2-9-5-8-1)3-10-6-11-4-7/h1-6H2" ;
dbo:iupacName "2,4,8,10-Tetraoxaspiro[5.5]undecane"@en ;
dbo:pubchem "78951"^^xsd:int ;
dbo:smiles "C1C2(COCO1)COCOC2" ;
dbp:inchikey "BGCSUUSPRCDKBQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24810T4Oasr5" ;
skos:prefLabel "2,4,8,10 tetraoxaspiro(5.5)undecaan"@nl .
csc:HFACYLZERDEVSX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7111 ;
dbo:casNumber "56481-94-8" , "92-87-5" , "46310-07-0" ;
dbo:formula "C12H12N2" ;
dbo:inchi "InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2" ;
dbo:iupacName "4-(4-aminophenyl)aniline"@en ;
dbo:pubchem "7111"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC=C(C=C2)N)N" ;
dbp:inchikey "HFACYLZERDEVSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003955 ;
skos:exactMatch wise:CAS_92-87-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzdne" ;
skos:prefLabel "benzidine"@nl ;
vcs:vmmParameterId "435"^^xsd:int .
csc:KWOLFJPFCHCOCG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7410 ;
dbo:casNumber "98-86-2" ;
dbo:formula "C8H8O" ;
dbo:inchi "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" ;
dbo:iupacName "1-Phenylethanone"@en ;
dbo:pubchem "7410"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=CC=C1" ;
dbp:inchikey "KWOLFJPFCHCOCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actfnn" ;
skos:prefLabel "acetofenon"@nl .
csc:FTOAOBMCPZCFFF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2294 ;
dbo:casNumber "57-44-3" ;
dbo:formula "C8H12N2O3" ;
dbo:inchi "InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)" ;
dbo:iupacName "5,5-diethyl-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "2294"^^xsd:int ;
dbo:smiles "CCC1(C(=O)NC(=O)NC1=O)CC" ;
dbp:inchikey "FTOAOBMCPZCFFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "barbtl" ;
skos:prefLabel "barbital"@nl .
csc:SYUHGPGVQRZVTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24857 ;
dbo:casNumber "10043-92-2" ;
dbo:formula "Rn" ;
dbo:inchi "InChI=1S/Rn" ;
dbo:iupacName "RADON"@en ;
dbo:pubchem "24857"^^xsd:int ;
dbo:smiles "[Rn]" ;
dbp:inchikey "SYUHGPGVQRZVTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Rn" ;
skos:prefLabel "radon"@nl .
csc:DTQVDTLACAAQTR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6422 ;
dbo:casNumber "76-05-1" ;
dbo:formula "C2HF3O2" ;
dbo:inchi "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" ;
dbo:iupacName "2,2,2-trifluoroacetic acid"@en ;
dbo:pubchem "6422"^^xsd:int ;
dbo:smiles "C(=O)(C(F)(F)F)O" ;
dbp:inchikey "DTQVDTLACAAQTR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFHAc" ;
skos:prefLabel "trifluorazijnzuur"@nl .
csc:OTSYFFDVDLHIKX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20632 ;
dbo:casNumber "4534-49-0" ;
dbo:formula "C19H32" ;
dbo:inchi "InChI=1S/C19H32/c1-3-5-7-8-11-15-18(14-10-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3" ;
dbo:iupacName "tridecan-6-ylbenzene"@en ;
dbo:pubchem "20632"^^xsd:int ;
dbo:smiles "CCCCCCCC(CCCCC)C1=CC=CC=C1" ;
dbp:inchikey "OTSYFFDVDLHIKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C5yC8yBen" ;
skos:prefLabel "1-(pentyloctyl)-benzeen"@nl .
csc:LGXVIGDEPROXKC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6366 ;
dbo:casNumber "39373-50-7" , "9050-12-8" , "120025-75-4" , "9002-85-1" , "56590-95-5" , "25038-48-6" , "37243-65-5" , "75-35-4" , "50861-72-8" , "50926-92-6" ;
dbo:formula "C2H2Cl2" ;
dbo:inchi "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" ;
dbo:iupacName "1,1-Dichloroethene"@en ;
dbo:pubchem "6366"^^xsd:int ;
dbo:smiles "C=C(Cl)Cl" ;
dbp:inchikey "LGXVIGDEPROXKC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_011 , co:LUC_IV_002 ;
skos:altLabel "1,1-dichlooretheen"@nl , "1,1-dichloorethaan"@nl ;
skos:broader csc:CHEMONTID_0001168 ;
skos:exactMatch wise:CAS_75-35-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DClC2e" ;
skos:prefLabel "1,1-dichloorethyleen"@nl ;
vcs:vmmParameterId "312"^^xsd:int .
csc:PCHJSUWPFVWCPO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23985 ;
dbo:casNumber "15456-07-2" , "59597-42-1" , "33019-35-1" , "7440-57-5" ;
dbo:formula "Au" ;
dbo:inchi "InChI=1S/Au" ;
dbo:iupacName "GOLD"@en ;
dbo:pubchem "23985"^^xsd:int ;
dbo:smiles "[Au]" ;
dbp:inchikey "PCHJSUWPFVWCPO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Au" ;
skos:prefLabel "goud"@nl .
csc:CAWXEEYDBZRFPE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39965 ;
dbo:casNumber "51235-04-2" ;
dbo:formula "C12H20N4O2" ;
dbo:inchi "InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3" ;
dbo:iupacName "3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4-dione"@en ;
dbo:pubchem "39965"^^xsd:int ;
dbo:smiles "CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C" ;
dbp:inchikey "CAWXEEYDBZRFPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:exactMatch wise:CAS_51235-04-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hxznn" ;
skos:prefLabel "hexazinon"@nl ;
vcs:vmmParameterId "750"^^xsd:int .
csc:ZWEHNKRNPOVVGH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'butanon'"@nl ;
rdfs:seeAlso compound:6569 ;
dbo:casNumber "135311-02-3" , "78-93-3" ;
dbo:formula "C4H8O" ;
dbo:inchi "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" ;
dbo:iupacName "butan-2-one"@en ;
dbo:pubchem "6569"^^xsd:int ;
dbo:smiles "CCC(=O)C" ;
dbp:inchikey "ZWEHNKRNPOVVGH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_007 ;
skos:altLabel "2-butanon"@nl , "2-butanon (mek)"@nl ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4on" ;
skos:prefLabel "2-butanon (MEK)"@nl .
csc:VLLVVZDKBSYMCG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:44163 ;
dbo:casNumber "62796-65-0" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-5-10(15)12(11(16)6-7)8-3-1-2-4-9(8)14/h1-6H" ;
dbo:iupacName "1,3,5-trichloro-2-(2-chlorophenyl)benzene"@en ;
dbo:pubchem "44163"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=C(C=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "VLLVVZDKBSYMCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB50" ;
skos:prefLabel "2,2',4,6-tetrachloorbifenyl"@nl .
csc:JAWPQJDOQPSNIQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47457 ;
dbo:casNumber "64744-50-9" ;
dbo:formula "C9H15NO" ;
dbo:inchi "InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)" ;
dbo:iupacName "2-azaspiro[4.5]decan-3-one"@en ;
dbo:pubchem "47457"^^xsd:int ;
dbo:smiles "C1CCC2(CC1)CC(=O)NC2" ;
dbp:inchikey "JAWPQJDOQPSNIQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000130 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gabptnltm" ;
skos:prefLabel "gabapentine-lactam"@nl .
csc:RJKGJBPXVHTNJL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6849 ;
dbo:casNumber "86-57-7" , "27254-36-0" ;
dbo:formula "C10H7NO2" ;
dbo:inchi "InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" ;
dbo:iupacName "['1-Nitronaphthalene', 'N,N-dihydroxynaphthalen-1-amine']"@en ;
dbo:pubchem "6849"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-]" ;
dbp:inchikey "RJKGJBPXVHTNJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002275 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1NO2Naf" ;
skos:prefLabel "1-nitronaftaleen"@nl .
csc:DKPHLYCEFBDQKM-UHFFFAOYSA-H
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:161581 ;
dbo:casNumber "6419-19-8" , "40588-62-3" , "27794-93-0" ;
dbo:formula "C3H6K6NO9P3" ;
dbo:inchi "InChI=1S/C3H12NO9P3.6K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;;/q;6*+1/p-6" ;
dbo:iupacName "hexapotassium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine"@en ;
dbo:pubchem "161581"^^xsd:int ;
dbo:smiles "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+]" ;
dbp:inchikey "DKPHLYCEFBDQKM-UHFFFAOYSA-H" ;
skos:broader csc:CHEMONTID_0001302 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AoTC1yePA" ;
skos:prefLabel "aminotrimethyleen fosfonzuur"@nl .
csc:FFQPZWRNXKPNPX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6451159 ;
dbo:casNumber "113614-08-7" ;
dbo:formula "C18H17F4NO2" ;
dbo:inchi "InChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)" ;
dbo:iupacName "2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(phenylmethyl)butanamide"@en ;
dbo:pubchem "6451159"^^xsd:int ;
dbo:smiles "CCC(C(=O)NCC1=CC=CC=C1)OC2=CC(=C(C=C2)F)C(F)(F)F" ;
dbp:inchikey "FFQPZWRNXKPNPX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "befbtAd" ;
skos:prefLabel "beflubutamide"@nl .
csc:HCWPIIXVSYCSAN-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6328538 ;
dbo:casNumber "13233-32-4" ;
dbo:formula "Ra" ;
dbo:inchi "InChI=1S/Ra/i1-2" ;
dbo:iupacName "radium-224"@en ;
dbo:pubchem "6328538"^^xsd:int ;
dbo:smiles "[Ra]" ;
dbp:inchikey "HCWPIIXVSYCSAN-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ra224" ;
skos:prefLabel "radium 224"@nl .
csc:LYRFLYHAGKPMFH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31292 ;
dbo:casNumber "37189-35-8" , "124-26-5" ;
dbo:formula "C18H37NO" ;
dbo:inchi "InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)" ;
dbo:iupacName "Octadecanamide"@en ;
dbo:pubchem "31292"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)N" ;
dbp:inchikey "LYRFLYHAGKPMFH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002484 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18aAd" ;
skos:prefLabel "octadecanamide"@nl .
csc:BIJNHUAPTJVVNQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:21387 ;
dbo:casNumber "63021-84-1" , "5315-79-7" ;
dbo:formula "C16H10O" ;
dbo:inchi "InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H" ;
dbo:iupacName "Pyren-1-ol"@en ;
dbo:pubchem "21387"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O" ;
dbp:inchikey "BIJNHUAPTJVVNQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001851 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1HOxPyr" ;
skos:prefLabel "1-hydroxypyreen"@nl .
csc:LSBDFXRDZJMBSC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7680 ;
dbo:casNumber "4463-20-1" , "103-81-1" ;
dbo:formula "C8H9NO" ;
dbo:inchi "InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)" ;
dbo:iupacName "2-Phenylacetamide"@en ;
dbo:pubchem "7680"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC(=O)N" ;
dbp:inchikey "LSBDFXRDZJMBSC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002363 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyacAd" ;
skos:prefLabel "2-fenylacetamide"@nl .
csc:FERIUCNNQQJTOY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:264 ;
dbo:casNumber "107-92-6" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" ;
dbo:iupacName "butanoic acid"@en ;
dbo:pubchem "264"^^xsd:int ;
dbo:smiles "CCCC(=O)O" ;
dbp:inchikey "FERIUCNNQQJTOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000333 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "botzr" ;
skos:prefLabel "boterzuur"@nl .
csc:JHBKHLUZVFWLAG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7270 ;
dbo:casNumber "63697-22-3" , "95-94-3" , "12408-10-5" ;
dbo:formula "C6H2Cl4" ;
dbo:inchi "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H" ;
dbo:iupacName "1,2,4,5-Tetrachlorobenzene"@en ;
dbo:pubchem "7270"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)Cl" ;
dbp:inchikey "JHBKHLUZVFWLAG-UHFFFAOYSA-N" ;
skos:altLabel "tetrachloorbenzeen"@nl ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_95-94-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1245T4ClBen" , "T4ClBen" ;
skos:prefLabel "1,2,4,5-tetrachloorbenzeen"@nl ;
vcs:vmmParameterId "316"^^xsd:int .
csc:IXBQSRWSVIBXNC-ANPQUZCZSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6437077 ;
dbo:casNumber "118399-22-7" ;
dbo:formula "C41H60N8O10" ;
dbo:inchi "InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8+" ;
dbo:iupacName "(2E)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid"@en ;
dbo:pubchem "6437077"^^xsd:int ;
dbo:smiles "CC=C1C(=O)NC(C(C(=O)NC(C(=O)NC(C(C(=O)NC(CCC(=O)N1C)C(=O)O)C)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C)CCCN=C(N)N)C)C(=O)O" ;
dbp:inchikey "IXBQSRWSVIBXNC-ANPQUZCZSA-N" ;
skos:broader csc:CHEMONTID_0004831 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nodlrn" ;
skos:prefLabel "nodularin"@nl .
csc:DLURHXYXQYMPLT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6978 ;
dbo:casNumber "89-62-3" ;
dbo:formula "C7H8N2O2" ;
dbo:inchi "InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3" ;
dbo:iupacName "4-Methyl-2-nitroaniline"@en ;
dbo:pubchem "6978"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N)[N+](=O)[O-]" ;
dbp:inchikey "DLURHXYXQYMPLT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y2NO2An" ;
skos:prefLabel "4-methyl-2-nitroaniline"@nl .
csc:MHOVAHRLVXNVSD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23948 ;
dbo:casNumber "24546-24-5" , "100041-37-0" , "7440-16-6" ;
dbo:formula "Rh" ;
dbo:inchi "InChI=1S/Rh" ;
dbo:iupacName "RHODIUM"@en ;
dbo:pubchem "23948"^^xsd:int ;
dbo:smiles "[Rh]" ;
dbp:inchikey "MHOVAHRLVXNVSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Rh" ;
skos:prefLabel "rhodium"@nl .
csc:BABJTMNVJXLAEX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13943 ;
dbo:casNumber "1031-47-6" ;
dbo:formula "C12H19N6OP" ;
dbo:inchi "InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)" ;
dbo:iupacName "2-bis(dimethylamino)phosphoryl-5-phenyl-1,2,4-triazol-3-amine"@en ;
dbo:pubchem "13943"^^xsd:int ;
dbo:smiles "CN(C)P(=O)(N1C(=NC(=N1)C2=CC=CC=C2)N)N(C)C" ;
dbp:inchikey "BABJTMNVJXLAEX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tamfs" ;
skos:prefLabel "triamifos"@nl .
csc:SNGREZUHAYWORS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9554 ;
dbo:casNumber "65618-66-8" , "335-67-1" , "33496-48-9" ;
dbo:formula "C8HF15O2" ;
dbo:inchi "InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid"@en ;
dbo:pubchem "9554"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "SNGREZUHAYWORS-UHFFFAOYSA-N" ;
skos:altLabel "perfluoroctaanzuur (pfoa)"@nl , "perfluor-n-octaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:exactMatch wise:CAS_335-67-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA" ;
skos:prefLabel "perfluoroctaanzuur"@nl ;
vcs:vmmParameterId "2126"^^xsd:int , "2127"^^xsd:int , "1046"^^xsd:int .
csc:RRAFCDWBNXTKKO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3314 ;
dbo:casNumber "97-53-0" ;
dbo:formula "C10H12O2" ;
dbo:inchi "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" ;
dbo:iupacName "2-Methoxy-4-prop-2-enylphenol"@en ;
dbo:pubchem "3314"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)CC=C)O" ;
dbp:inchikey "RRAFCDWBNXTKKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000190 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "eugnl" ;
skos:prefLabel "eugenol"@nl .
csc:YEJAJYAHJQIWNU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:54360 ;
dbo:casNumber "79307-93-0" , "37932-96-0" , "58581-89-8" ;
dbo:formula "C22H25Cl2N3O" ;
dbo:inchi "InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H" ;
dbo:iupacName "4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one hydrochloride"@en ;
dbo:pubchem "54360"^^xsd:int ;
dbo:smiles "CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Cl" ;
dbp:inchikey "YEJAJYAHJQIWNU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azltne" ;
skos:prefLabel "azelastine"@nl .
csc:OJMBMWRMTMHMSZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:106027 ;
dbo:casNumber "67905-19-5" ;
dbo:formula "C16HF31O2" ;
dbo:inchi "InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluorohexadecanoic acid"@en ;
dbo:pubchem "106027"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "OJMBMWRMTMHMSZ-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-hexadecaanzuur (pfhxda)"@nl , "perfluorhexadecaanzuur (pfhxda)"@nl , "perfluor-n-hexadecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFHxDA" , "PFC16azr" ;
skos:prefLabel "perfluorhexadecaanzuur"@nl .
csc:YREYEVIYCVEVJK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5029 ;
dbo:casNumber "117976-89-3" ;
dbo:formula "C18H21N3O3S" ;
dbo:inchi "InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)" ;
dbo:iupacName "2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole"@en ;
dbo:pubchem "5029"^^xsd:int ;
dbo:smiles "CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC" ;
dbp:inchikey "YREYEVIYCVEVJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001891 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "rabeprazol"@nl .
csc:CBGUOGMQLZIXBE-XGQKBEPLSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:32798 ;
dbo:casNumber "25122-46-7" ;
dbo:formula "C25H32ClFO5" ;
dbo:inchi "InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1" ;
dbo:iupacName "[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate"@en ;
dbo:pubchem "32798"^^xsd:int ;
dbo:smiles "CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl" ;
dbp:inchikey "CBGUOGMQLZIXBE-XGQKBEPLSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clobtsppont" ;
skos:prefLabel "clobetasolpropionaat"@nl .
csc:ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:261 ;
dbo:casNumber "123-72-8" ;
dbo:formula "C4H8O" ;
dbo:inchi "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" ;
dbo:iupacName "BUTANAL"@en ;
dbo:pubchem "261"^^xsd:int ;
dbo:smiles "CCCC=O" ;
dbp:inchikey "ZTQSAGDEMFDKMZ-UHFFFAOYSA-N" ;
skos:altLabel "butyraldehyde"@nl ;
skos:broader csc:CHEMONTID_0002434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4al" ;
skos:prefLabel "butanal"@nl .
csc:RLLPVAHGXHCWKJ-HKUYNNGSSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:40463 ;
dbo:casNumber "57608-04-5" , "61949-76-6" , "93388-66-0" , "63364-00-1" , "75497-64-2" , "54774-45-7" , "52645-53-1" , "60018-94-2" ;
dbo:formula "C21H20Cl2O3" ;
dbo:inchi "InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1" ;
dbo:iupacName "[3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "40463"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" ;
dbp:inchikey "RLLPVAHGXHCWKJ-HKUYNNGSSA-N" ;
skos:altLabel "permethrin"@nl , "cis-permethrin"@nl ;
skos:broader csc:CHEMONTID_0001461 ;
skos:exactMatch wise:CAS_52645-53-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cpermtn" , "permtn" ;
skos:prefLabel "cis-permetryn"@nl ;
vcs:vmmParameterId "1483"^^xsd:int .
csc:FQDIANVAWVHZIR-OWOJBTEDSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:642197 ;
dbo:casNumber "110-57-6" , "764-41-0" ;
dbo:formula "C4H6Cl2" ;
dbo:inchi "InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+" ;
dbo:iupacName "['1,4-Dichlorobut-2-ene', '(E)-1,4-dichlorobut-2-ene']"@en ;
dbo:pubchem "642197"^^xsd:int ;
dbo:smiles "C(C=CCCl)Cl" ;
dbp:inchikey "FQDIANVAWVHZIR-OWOJBTEDSA-N" ;
skos:altLabel "1,4-dichloor-2-buteen"@nl ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DCl2C4e" , "t14DCl2C4e" ;
skos:prefLabel "trans-1,4-dichloor-2-buteen"@nl .
csc:CDZOGLJOFWFVOZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12153 ;
dbo:casNumber "622-80-0" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3" ;
dbo:iupacName "N-PROPYLANILINE"@en ;
dbo:pubchem "12153"^^xsd:int ;
dbo:smiles "CCCNC1=CC=CC=C1" ;
dbp:inchikey "CDZOGLJOFWFVOZ-UHFFFAOYSA-N" ;
skos:altLabel "n-propylaniline"@nl ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC3yAn" ;
skos:prefLabel "N-propylaniline"@nl .
csc:JWZXKXIUSSIAMR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22772 ;
dbo:casNumber "6317-18-6" ;
dbo:formula "C3H2N2S2" ;
dbo:inchi "InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2" ;
dbo:iupacName "dithiocyanatomethane"@en ;
dbo:pubchem "22772"^^xsd:int ;
dbo:smiles "C(SC#N)SC#N" ;
dbp:inchikey "JWZXKXIUSSIAMR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002132 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yebtoCN" ;
skos:prefLabel "methyleenbisthiocyanaat"@nl .
csc:VXIVSQZSERGHQP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6580 ;
dbo:casNumber "79-07-2" ;
dbo:formula "C2H4ClNO" ;
dbo:inchi "InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)" ;
dbo:iupacName "2-Chloroacetamide"@en ;
dbo:pubchem "6580"^^xsd:int ;
dbo:smiles "C(C(=O)N)Cl" ;
dbp:inchikey "VXIVSQZSERGHQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004527 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClacAd" ;
skos:prefLabel "2-chlooraceetamide"@nl .
csc:XYFCBTPGUUZFHI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl , "VLAR III (D3) 'fosforwaterstof'"@nl ;
rdfs:seeAlso compound:24404 ;
dbo:casNumber "7803-51-2" , "29879-37-6" , "167076-44-0" ;
dbo:formula "H3P" ;
dbo:inchi "InChI=1S/H3P/h1H3" ;
dbo:iupacName "['phosphane', '$l^{1}-phosphane']"@en ;
dbo:pubchem "24404"^^xsd:int ;
dbo:smiles "P" ;
dbp:inchikey "XYFCBTPGUUZFHI-UHFFFAOYSA-N" ;
skos:altLabel "fosforwaterstof of fosfine of fosfaan?"@nl ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosfne" ;
skos:prefLabel "fosfine"@nl .
csc:XTXRWKRVRITETP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7904 ;
dbo:casNumber "61891-42-7" , "82041-23-4" , "85306-26-9" , "220713-36-0" , "108-05-4" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" ;
dbo:iupacName "Ethenyl acetate"@en ;
dbo:pubchem "7904"^^xsd:int ;
dbo:smiles "CC(=O)OC=C" ;
dbp:inchikey "XTXRWKRVRITETP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_004 ;
skos:broader csc:CHEMONTID_0002354 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vinactt" ;
skos:prefLabel "vinylacetaat"@nl .
csc:ISRUGXGCCGIOQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4944 ;
dbo:casNumber "114-26-1" ;
dbo:formula "C11H15NO3" ;
dbo:inchi "InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)" ;
dbo:iupacName "(2-propan-2-yloxyphenyl) N-methylcarbamate"@en ;
dbo:pubchem "4944"^^xsd:int ;
dbo:smiles "CC(C)OC1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "ISRUGXGCCGIOQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propxr" ;
skos:prefLabel "propoxur"@nl .
csc:PEDCQBHIVMGVHV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:753 ;
dbo:casNumber "75398-78-6" , "25618-55-7" , "8013-25-0" , "37228-54-9" , "30049-52-6" , "78630-16-7" , "64333-26-2" , "8043-29-6" , "56-81-5" , "29796-42-7" , "175385-78-1" ;
dbo:formula "C3H8O3" ;
dbo:inchi "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" ;
dbo:iupacName "PROPANE-1,2,3-TRIOL"@en ;
dbo:pubchem "753"^^xsd:int ;
dbo:smiles "C(C(CO)O)O" ;
dbp:inchikey "PEDCQBHIVMGVHV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycrne" ;
skos:prefLabel "glycerine"@nl .
csc:TYEDCFVCFDKSBK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:38857 ;
dbo:casNumber "41411-64-7" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-1-4(3-6(5)14)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "38857"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "TYEDCFVCFDKSBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB190" ;
skos:prefLabel "2,3,3',4,4',5,6-heptachloorbifenyl"@nl .
csc:AVYGCQXNNJPXSS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7262 ;
dbo:casNumber "95-82-9" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2" ;
dbo:iupacName "2,5-Dichloroaniline"@en ;
dbo:pubchem "7262"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)N)Cl" ;
dbp:inchikey "AVYGCQXNNJPXSS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_95-82-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DClAn" ;
skos:prefLabel "2,5-dichlooraniline"@nl ;
vcs:vmmParameterId "45"^^xsd:int .
csc:BNIXVQGCZULYKV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6419 ;
dbo:casNumber "76-01-7" ;
dbo:formula "C2HCl5" ;
dbo:inchi "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" ;
dbo:iupacName "1,1,1,2,2-pentachloroethane"@en ;
dbo:pubchem "6419"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "BNIXVQGCZULYKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClC2a" ;
skos:prefLabel "pentachloorethaan"@nl .
csc:PXBRQCKWGAHEHS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6391 ;
dbo:casNumber "185009-39-6" , "75-71-8" , "62185-71-1" ;
dbo:formula "CCl2F2" ;
dbo:inchi "InChI=1S/CCl2F2/c2-1(3,4)5" ;
dbo:iupacName "dichloro-difluoromethane"@en ;
dbo:pubchem "6391"^^xsd:int ;
dbo:smiles "C(F)(F)(Cl)Cl" ;
dbp:inchikey "PXBRQCKWGAHEHS-UHFFFAOYSA-N" ;
skos:altLabel "dichloordifluormethaan (cfk12)"@nl , "dichloordifluormethaan"@nl ;
skos:broader csc:CHEMONTID_0004521 ;
skos:exactMatch wise:CAS_75-71-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK12" ;
skos:prefLabel "dichloordifluormethaan "@nl ;
vcs:vmmParameterId "378"^^xsd:int .
csc:PWWVAXIEGOYWEE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4927 ;
dbo:casNumber "73745-50-3" , "38878-40-9" , "60-87-7" ;
dbo:formula "C17H20N2S" ;
dbo:inchi "InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3" ;
dbo:iupacName "N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine"@en ;
dbo:pubchem "4927"^^xsd:int ;
dbo:smiles "CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C" ;
dbp:inchikey "PWWVAXIEGOYWEE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "promtzne" ;
skos:prefLabel "promethazine"@nl .
csc:BAQAVOSOZGMPRM-QBMZZYIRSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71485 ;
dbo:casNumber "56038-13-2" ;
dbo:formula "C12H19Cl3O8" ;
dbo:inchi "InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1" ;
dbo:iupacName "(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol"@en ;
dbo:pubchem "71485"^^xsd:int ;
dbo:smiles "C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O" ;
dbp:inchikey "BAQAVOSOZGMPRM-QBMZZYIRSA-N" ;
skos:broader csc:CHEMONTID_0002204 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "suclse" ;
skos:prefLabel "sucralose"@nl .
csc:SAOKZLXYCUGLFA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7641 ;
dbo:casNumber "103-23-1" , "39393-67-4" , "63637-48-9" , "70147-21-6" ;
dbo:formula "C22H42O4" ;
dbo:inchi "InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3" ;
dbo:iupacName "Bis(2-ethylhexyl) hexanedioate"@en ;
dbo:pubchem "7641"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC" ;
dbp:inchikey "SAOKZLXYCUGLFA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BISADPT" ;
skos:prefLabel "bis(2-ethylhexyl)adipaat"@nl .
csc:WRAGCBBWIYQMRF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14301 ;
dbo:casNumber "1124-53-4" ;
dbo:formula "C8H15NO" ;
dbo:inchi "InChI=1S/C8H15NO/c1-7(10)9-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,9,10)" ;
dbo:iupacName "N-Cyclohexylacetamide"@en ;
dbo:pubchem "14301"^^xsd:int ;
dbo:smiles "CC(=O)NC1CCCCC1" ;
dbp:inchikey "WRAGCBBWIYQMRF-UHFFFAOYSA-N" ;
skos:altLabel "n-cyclohexylacetamide"@nl ;
skos:broader csc:CHEMONTID_0003922 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NccC6yacAd" ;
skos:prefLabel "N-cyclohexylacetamide"@nl .
csc:RIPPXFWUYXTRNJ-BHARVXRSSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3046136 ;
dbo:casNumber "61585-22-6" , "18717-72-1" ;
dbo:formula "C16H20ClNO4" ;
dbo:inchi "InChI=1S/C16H19NO4.ClH/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10;/h2-6,11-14,17H,7-9H2,1H3;1H/t11-,12+,13-,14+;/m0./s1" ;
dbo:iupacName "methyl (1R,2R,3S,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride"@en ;
dbo:pubchem "3046136"^^xsd:int ;
dbo:smiles "COC(=O)C1C2CCC(N2)CC1OC(=O)C3=CC=CC=C3.Cl" ;
dbp:inchikey "RIPPXFWUYXTRNJ-BHARVXRSSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norccine" ;
skos:prefLabel "norcoca\uFFFDne"@nl .
csc:KENZYIHFBRWMOD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36186 ;
dbo:casNumber "32598-11-1" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1-6H" ;
dbo:iupacName "1,2-dichloro-4-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "36186"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C=CC(=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "KENZYIHFBRWMOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB70" ;
skos:prefLabel "2,3',4',5-tetrachloorbifenyl"@nl .
csc:YQZBFMJOASEONC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14091 ;
dbo:casNumber "1074-17-5" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3" ;
dbo:iupacName "1-Methyl-2-propylbenzene"@en ;
dbo:pubchem "14091"^^xsd:int ;
dbo:smiles "CCCC1=CC=CC=C1C" ;
dbp:inchikey "YQZBFMJOASEONC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y2C3yBen" ;
skos:prefLabel "1-methyl-2-propylbenzeen"@nl .
csc:QEFYFXOXNSNQGX-AKLPVKDBSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:114848 ;
dbo:casNumber "14269-74-0" ;
dbo:formula "Nd" ;
dbo:inchi "InChI=1S/Nd/i1+3" ;
dbo:iupacName "neodymium-147"@en ;
dbo:pubchem "114848"^^xsd:int ;
dbo:smiles "[Nd]" ;
dbp:inchikey "QEFYFXOXNSNQGX-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nd147" ;
skos:prefLabel "neodymium 147"@nl .
csc:WNYADZVDBIBLJJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13591 ;
dbo:casNumber "930-55-2" , "68374-63-0" , "35884-45-8" ;
dbo:formula "C4H8N2O" ;
dbo:inchi "InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2" ;
dbo:iupacName "1-Nitrosopyrrolidine"@en ;
dbo:pubchem "13591"^^xsd:int ;
dbo:smiles "C1CCN(C1)N=O" ;
dbp:inchikey "WNYADZVDBIBLJJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000218 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NOprldne" ;
skos:prefLabel "nitropyrrolidine"@nl .
csc:PAPBSGBWRJIAAV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10401 ;
dbo:casNumber "67184-99-0" , "80137-66-2" , "24980-41-4" , "502-44-3" , "52004-64-5" ;
dbo:formula "C6H10O2" ;
dbo:inchi "InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2" ;
dbo:iupacName "oxepan-2-one"@en ;
dbo:pubchem "10401"^^xsd:int ;
dbo:smiles "C1CCC(=O)OCC1" ;
dbp:inchikey "PAPBSGBWRJIAAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000050 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Oxepnn" ;
skos:prefLabel "2-oxepanon"@nl .
csc:CNKHSLKYRMDDNQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:114994 ;
dbo:casNumber "112226-61-6" ;
dbo:formula "C18H19ClN2O2" ;
dbo:inchi "InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)" ;
dbo:iupacName "N'-(benzoyl)-N'-tert-butyl-4-chlorobenzohydrazide"@en ;
dbo:pubchem "114994"^^xsd:int ;
dbo:smiles "CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "CNKHSLKYRMDDNQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halfnzde" ;
skos:prefLabel "halofenozide"@nl .
csc:VKOBVWXKNCXXDE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10467 ;
dbo:casNumber "22302-43-8" , "506-30-9" ;
dbo:formula "C20H40O2" ;
dbo:inchi "InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)" ;
dbo:iupacName "Icosanoic acid"@en ;
dbo:pubchem "10467"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "VKOBVWXKNCXXDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "arcdzr" ;
skos:prefLabel "arachidezuur"@nl .
csc:VAIZTNZGPYBOGF-CYBMUJFWSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3033674 ;
dbo:casNumber "79241-46-6" ;
dbo:formula "C19H20F3NO4" ;
dbo:inchi "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" ;
dbo:iupacName "butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "3033674"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "VAIZTNZGPYBOGF-CYBMUJFWSA-N" ;
skos:altLabel "fluazifop-p-butyl"@nl ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazfPC4y" ;
skos:prefLabel "fluazifop-P-butyl"@nl .
csc:HWATZEJQIXKWQS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93539 ;
dbo:casNumber "104040-78-0" ;
dbo:formula "C13H12F3N5O5S" ;
dbo:inchi "InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)" ;
dbo:iupacName "3-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]sulfonylurea"@en ;
dbo:pubchem "93539"^^xsd:int ;
dbo:smiles "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(F)(F)F)OC" ;
dbp:inchikey "HWATZEJQIXKWQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flazsfrn" ;
skos:prefLabel "flazasulfuron"@nl .
csc:YFNKIDBQEZZDLK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8189 ;
dbo:casNumber "70992-85-7" , "112-49-2" ;
dbo:formula "C8H18O4" ;
dbo:inchi "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" ;
dbo:iupacName "1,2-Bis(2-methoxyethoxy)ethane"@en ;
dbo:pubchem "8189"^^xsd:int ;
dbo:smiles "COCCOCCOCCOC" ;
dbp:inchikey "YFNKIDBQEZZDLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25811T4OaC12" ;
skos:prefLabel "2,5,8,11-tetraoxadodecaan"@nl .
csc:AVKUERGKIZMTKX-NJBDSQKTSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6249 ;
dbo:casNumber "50584-05-9" , "69-53-4" , "37234-64-3" , "98520-55-9" , "800-79-3" , "96707-69-6" , "8056-87-9" , "33604-21-6" , "47355-94-2" ;
dbo:formula "C16H19N3O4S" ;
dbo:inchi "InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1" ;
dbo:iupacName "(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en ;
dbo:pubchem "6249"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C" ;
dbp:inchikey "AVKUERGKIZMTKX-NJBDSQKTSA-N" ;
skos:broader csc:CHEMONTID_0000174 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ampclne" ;
skos:prefLabel "ampicilline"@nl .
csc:GOPWOUQJIMLDDM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:18405 ;
dbo:casNumber "3126-90-7" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-3-5-10-19-15(17)13-8-7-9-14(12-13)16(18)20-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3" ;
dbo:iupacName "dibutyl benzene-1,3-dicarboxylate"@en ;
dbo:pubchem "18405"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCC" ;
dbp:inchikey "GOPWOUQJIMLDDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4yiFt" ;
skos:prefLabel "dibutylisoftalaat"@nl .
csc:CZTBTZZANBJSLY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12498036 ;
dbo:casNumber "863090-89-5" ;
dbo:formula "C5HF9O3" ;
dbo:inchi "InChI=1S/C5HF9O3/c6-2(7,1(15)16)3(8,9)4(10,11)17-5(12,13)14/h(H,15,16)" ;
dbo:iupacName "2,2,3,3,4,4-hexafluoro-4-(trifluoromethoxy)butanoic acid"@en ;
dbo:pubchem "12498036"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "CZTBTZZANBJSLY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000483 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFMOBA" ;
skos:prefLabel "perfluor-4-methoxybutaanzuur"@nl .
csc:LHHGDZSESBACKH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:299 ;
dbo:casNumber "143-50-0" ;
dbo:formula "C10Cl10O" ;
dbo:inchi "InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20" ;
dbo:iupacName "1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one"@en ;
dbo:pubchem "299"^^xsd:int ;
dbo:smiles "C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "LHHGDZSESBACKH-UHFFFAOYSA-N" ;
skos:altLabel "chloordecon"@nl ;
skos:broader csc:CHEMONTID_0001549 ;
skos:exactMatch wise:CAS_143-50-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cldcne" ;
skos:prefLabel "chloordecone"@nl ;
vcs:vmmParameterId "956"^^xsd:int .
csc:UZGLIIJVICEWHF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17596 ;
dbo:casNumber "141615-54-5" , "121631-13-8" , "5222-46-8" , "66745-90-2" , "97956-01-9" , "2691-41-0" , "66038-26-4" ;
dbo:formula "C4H8N8O8" ;
dbo:inchi "InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2" ;
dbo:iupacName "1,3,5,7-tetranitro-1,3,5,7-tetrazocane"@en ;
dbo:pubchem "17596"^^xsd:int ;
dbo:smiles "C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "UZGLIIJVICEWHF-UHFFFAOYSA-N" ;
skos:altLabel "octogeen (HMX)"@nl ;
skos:broader csc:CHEMONTID_0001152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "octgn" ;
skos:prefLabel "octogeen (hmx)"@nl .
csc:UDCDOJQOXWCCSD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:738302 ;
dbo:casNumber "66840-71-9" ;
dbo:formula "C9H14N2O2S" ;
dbo:inchi "InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3" ;
dbo:iupacName "1-(dimethylsulfamoylamino)-4-methylbenzene"@en ;
dbo:pubchem "738302"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)NS(=O)(=O)N(C)C" ;
dbp:inchikey "UDCDOJQOXWCCSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DMST" ;
skos:prefLabel "4-dimethylaminosulfotoluidide"@nl .
csc:OHLUUHNLEMFGTQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6582 ;
dbo:casNumber "1320-47-4" , "79-16-3" ;
dbo:formula "C3H7NO" ;
dbo:inchi "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" ;
dbo:iupacName "N-Methylacetamide"@en ;
dbo:pubchem "6582"^^xsd:int ;
dbo:smiles "CC(=O)NC" ;
dbp:inchikey "OHLUUHNLEMFGTQ-UHFFFAOYSA-N" ;
skos:altLabel "n-methylaceetamide"@nl ;
skos:broader csc:CHEMONTID_0002484 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC1yacAd" ;
skos:prefLabel "N-methylaceetamide"@nl .
csc:YSMRWXYRXBRSND-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6527 ;
dbo:casNumber "1336-40-9" , "78-30-8" ;
dbo:formula "C21H21O4P" ;
dbo:inchi "InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3" ;
dbo:iupacName "['hydroxy-tris(2-methylphenoxy)phosphanium', 'tris(2-methylphenyl) phosphate']"@en ;
dbo:pubchem "6527"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C" ;
dbp:inchikey "YSMRWXYRXBRSND-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TocsPO4" ;
skos:prefLabel "tri-o-cresylfosfaat"@nl .
csc:OJMHGSMSQZEBFH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37454 ;
dbo:casNumber "36483-60-0" ;
dbo:formula "C12H4Br6O" ;
dbo:inchi "InChI=1S/C12H4Br6O/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4H" ;
dbo:iupacName "1,2,5-tribromo-3-(2,4,6-tribromophenoxy)benzene"@en ;
dbo:pubchem "37454"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1OC2=C(C=C(C=C2Br)Br)Br)Br)Br)Br" ;
dbp:inchikey "OJMHGSMSQZEBFH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "hexabroomdifenylether"@nl .
csc:CTTHWASMBLQOFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91777 ;
dbo:casNumber "120923-37-7" ;
dbo:formula "C9H15N5O7S2" ;
dbo:inchi "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" ;
dbo:iupacName "3-(4,6-dimethoxypyrimidin-2-yl)-1-(methyl-methylsulfonylsulfamoyl)urea"@en ;
dbo:pubchem "91777"^^xsd:int ;
dbo:smiles "CN(S(=O)(=O)C)S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)OC)OC" ;
dbp:inchikey "CTTHWASMBLQOFR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000128 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amdsfrn" ;
skos:prefLabel "amidosulfuron"@nl .
csc:MECHNRXZTMCUDQ-VLOQVYPSSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6536972 ;
dbo:casNumber "50-14-6" ;
dbo:formula "C28H44O" ;
dbo:inchi "InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20-,22+,25-,26+,27-,28+/m0/s1" ;
dbo:iupacName "['(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol', '(1S)-3-[2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol']"@en ;
dbo:pubchem "6536972"^^xsd:int ;
dbo:smiles "CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C" ;
dbp:inchikey "MECHNRXZTMCUDQ-VLOQVYPSSA-N" ;
skos:broader csc:CHEMONTID_0001460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ergccfrl" ;
skos:prefLabel "ergocalciferol"@nl .
csc:NBQNWMBBSKPBAY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3724 ;
dbo:casNumber "92339-11-2" ;
dbo:formula "C35H44I6N6O15" ;
dbo:inchi "InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)" ;
dbo:iupacName "5-[acetyl-[3-[acetyl-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodophenyl]amino]-2-hydroxypropyl]amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "3724"^^xsd:int ;
dbo:smiles "CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I" ;
dbp:inchikey "NBQNWMBBSKPBAY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jodixnl" ;
skos:prefLabel "jodixanol"@nl .
csc:WUOACPNHFRMFPN-VIFPVBQESA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:442501 ;
dbo:casNumber "7785-53-7" , "98-55-5" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1" ;
dbo:iupacName "2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-ol"@en ;
dbo:pubchem "442501"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1)C(C)(C)O" ;
dbp:inchikey "WUOACPNHFRMFPN-VIFPVBQESA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aterpnol" ;
skos:prefLabel "alfa-terpineol"@nl .
csc:WHWDWIHXSPCOKZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10408 ;
dbo:casNumber "16825-16-4" , "502-69-2" , "13955-74-3" ;
dbo:formula "C18H36O" ;
dbo:inchi "InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3" ;
dbo:iupacName "6,10,14-Trimethylpentadecan-2-one"@en ;
dbo:pubchem "10408"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(=O)C" ;
dbp:inchikey "WHWDWIHXSPCOKZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "61014TC1y2C1" ;
skos:prefLabel "6,10,14-trimethyl-2-pentadecanon"@nl .
csc:ITQTTZVARXURQS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7970 ;
dbo:casNumber "61204-14-6" , "108-99-6" , "82005-08-1" ;
dbo:formula "C6H7N" ;
dbo:inchi "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" ;
dbo:iupacName "3-Methylpyridine"@en ;
dbo:pubchem "7970"^^xsd:int ;
dbo:smiles "CC1=CN=CC=C1" ;
dbp:inchikey "ITQTTZVARXURQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yprdne" ;
skos:prefLabel "3-methylpyridine"@nl .
csc:PBFOWFPZALCTIY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:154485 ;
dbo:casNumber "86029-64-3" ;
dbo:formula "C12H5Br5" ;
dbo:inchi "InChI=1S/C12H5Br5/c13-7-4-10(16)12(11(17)5-7)6-1-2-8(14)9(15)3-6/h1-5H" ;
dbo:iupacName "1,3,5-tribromo-2-(3,4-dibromophenyl)benzene"@en ;
dbo:pubchem "154485"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C=C(C=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "PBFOWFPZALCTIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE119" ;
skos:prefLabel "2,3',4,4',6-pentabroomdifenylether"@nl .
csc:AFWOYEYXUDHGHF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3022253 ;
dbo:casNumber "678-41-1" ;
dbo:formula "C20H9F34O4P" ;
dbo:inchi "InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)" ;
dbo:iupacName "Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate"@en ;
dbo:pubchem "3022253"^^xsd:int ;
dbo:smiles "C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "AFWOYEYXUDHGHF-UHFFFAOYSA-N" ;
skos:altLabel "bisperfluordecylwaterstoffosfaat (8:2 diPAP)"@nl , "8:2 fluortelomeerfosfaat diester"@nl , "bisperfluordecylwaterstoffosfaat (8:2 dipap)"@nl ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "8:2 diPAP" , "bisPFC10yPO4" ;
skos:prefLabel "8:2 fluortelomeerfosfaat diester (8:2 dipap)"@nl .
csc:JARKCYVAAOWBJS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6184 ;
dbo:casNumber "66-25-1" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" ;
dbo:iupacName "Hexanal"@en ;
dbo:pubchem "6184"^^xsd:int ;
dbo:smiles "CCCCCC=O" ;
dbp:inchikey "JARKCYVAAOWBJS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6al" ;
skos:prefLabel "hexanal"@nl .
csc:XSTXAVWGXDQKEL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl , "VLAR II Art. 5.4.3.1.4"@nl ;
rdfs:seeAlso compound:6575 ;
dbo:casNumber "52037-46-4" , "79-01-6" ;
dbo:formula "C2HCl3" ;
dbo:inchi "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" ;
dbo:iupacName "1,1,2-trichloroethene"@en ;
dbo:pubchem "6575"^^xsd:int ;
dbo:smiles "C(=C(Cl)Cl)Cl" ;
dbp:inchikey "XSTXAVWGXDQKEL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_002 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:altLabel "trichlooretheen"@nl , "trichloorethyleen (tri)"@nl , "trichlooretheen (tri)"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_79-01-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClC2e" ;
skos:prefLabel "trichloorethyleen"@nl ;
vcs:vmmParameterId "385"^^xsd:int .
csc:UCSJYZPVAKXKNQ-HZYVHMACSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19649 ;
dbo:casNumber "57-92-1" ;
dbo:formula "C21H39N7O12" ;
dbo:inchi "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1" ;
dbo:iupacName "2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine"@en ;
dbo:pubchem "19649"^^xsd:int ;
dbo:smiles "CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O" ;
dbp:inchikey "UCSJYZPVAKXKNQ-HZYVHMACSA-N" ;
skos:broader csc:CHEMONTID_0001675 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "streptmcne" ;
skos:prefLabel "streptomycine"@nl .
csc:ZDRBJJNXJOSCLR-YZKQBBCCSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:88045 ;
dbo:casNumber "6980-18-3" , "19408-46-9" ;
dbo:formula "C14H26ClN3O9" ;
dbo:inchi "InChI=1S/C14H25N3O9.ClH/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-;/m1./s1" ;
dbo:iupacName "2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid;hydrochloride"@en ;
dbo:pubchem "88045"^^xsd:int ;
dbo:smiles "CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N.Cl" ;
dbp:inchikey "ZDRBJJNXJOSCLR-YZKQBBCCSA-N" ;
skos:broader csc:CHEMONTID_0001675 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "kasgmcne" ;
skos:prefLabel "kasugamycine"@nl .
csc:IBOFVQJTBBUKMU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7543 ;
dbo:casNumber "78642-65-6" , "126699-69-2" , "101-14-4" , "51065-07-7" , "29371-14-0" ;
dbo:formula "C13H12Cl2N2" ;
dbo:inchi "InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2" ;
dbo:iupacName "4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline"@en ;
dbo:pubchem "7543"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N" ;
dbp:inchikey "IBOFVQJTBBUKMU-UHFFFAOYSA-N" ;
skos:altLabel "4,4'-methyleenbis(2-chlooraniline)"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44C1yeb2ClAn" ;
skos:prefLabel "4,4\uFFFD-methylenebis(2-chlooraniline)"@nl .
csc:ZEKANFGSDXODPD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:38078 ;
dbo:casNumber "96639-11-1" , "96638-41-4" , "38641-94-0" , "39226-77-2" , "258263-91-1" , "106805-61-2" ;
dbo:formula "C6H17N2O5P" ;
dbo:inchi "InChI=1S/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3" ;
dbo:iupacName "2-(phosphonomethylamino)acetic acid; propan-2-amine"@en ;
dbo:pubchem "38078"^^xsd:int ;
dbo:smiles "CC(C)N.C(C(=O)O)NCP(=O)(O)O" ;
dbp:inchikey "ZEKANFGSDXODPD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glyfsiC3yNH4" ;
skos:prefLabel "glyfosaat-isopropylammonium"@nl .
csc:INLLPKCGLOXCIV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11641 ;
dbo:casNumber "593-60-2" , "25951-54-6" ;
dbo:formula "C2H3Br" ;
dbo:inchi "InChI=1S/C2H3Br/c1-2-3/h2H,1H2" ;
dbo:iupacName "Bromoethene"@en ;
dbo:pubchem "11641"^^xsd:int ;
dbo:smiles "C=CBr" ;
dbp:inchikey "INLLPKCGLOXCIV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrC2e" ;
skos:prefLabel "broometheen"@nl .
csc:DSSYKIVIOFKYAU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2537 ;
dbo:casNumber "8022-77-3" , "8013-55-6" , "21368-68-3" , "76-22-2" , "48113-22-0" , "68546-28-1" ;
dbo:formula "C10H16O" ;
dbo:inchi "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3" ;
dbo:iupacName "1,7,7-trimethylbicyclo[2.2.1]heptan-2-one"@en ;
dbo:pubchem "2537"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(=O)C2)C)C" ;
dbp:inchikey "DSSYKIVIOFKYAU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "camfr" ;
skos:prefLabel "camfor"@nl .
csc:XQVCBOLNTSUFGD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:21441 ;
dbo:casNumber "5345-54-0" ;
dbo:formula "C7H8ClNO" ;
dbo:inchi "InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3" ;
dbo:iupacName "3-Chloro-4-methoxyaniline"@en ;
dbo:pubchem "21441"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)N)Cl" ;
dbp:inchikey "XQVCBOLNTSUFGD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl4C1oxAn" ;
skos:prefLabel "3-chloor-4-methoxyaniline"@nl .
csc:RUCAXVJJQQJZGU-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:105048 ;
dbo:casNumber "81591-81-3" , "87090-28-6" ;
dbo:formula "C6H16NO5PS" ;
dbo:inchi "InChI=1S/C3H8NO5P.C3H9S/c5-3(6)1-4-2-10(7,8)9;1-4(2)3/h4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;+1/p-1" ;
dbo:iupacName "2-(phosphonomethylamino)acetate; trimethylsulfanium"@en ;
dbo:pubchem "105048"^^xsd:int ;
dbo:smiles "C[S+](C)C.C(C(=O)[O-])NCP(=O)(O)O" ;
dbp:inchikey "RUCAXVJJQQJZGU-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glyfsTmsm" ;
skos:prefLabel "glyfosaat-trimesium"@nl .
csc:CFKMVGJGLGKFKI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1732 ;
dbo:casNumber "59-50-7" ;
dbo:formula "C7H7ClO" ;
dbo:inchi "InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3" ;
dbo:iupacName "4-Chloro-3-methylphenol"@en ;
dbo:pubchem "1732"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)O)Cl" ;
dbp:inchikey "CFKMVGJGLGKFKI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001273 ;
skos:exactMatch wise:CAS_59-50-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl3C1yFol" ;
skos:prefLabel "4-chloor-3-methylfenol"@nl ;
vcs:vmmParameterId "363"^^xsd:int .
csc:YBYIRNPNPLQARY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7219 ;
dbo:casNumber "95-13-6" , "71551-80-9" , "9003-64-9" ;
dbo:formula "C9H8" ;
dbo:inchi "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2" ;
dbo:iupacName "1H-Indene"@en ;
dbo:pubchem "7219"^^xsd:int ;
dbo:smiles "C1C=CC2=CC=CC=C21" ;
dbp:inchikey "YBYIRNPNPLQARY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000021 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "inde" ;
skos:prefLabel "indeen"@nl .
csc:IMACFCSSMIZSPP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10757 ;
dbo:casNumber "532-27-4" ;
dbo:formula "C8H7ClO" ;
dbo:inchi "InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2" ;
dbo:iupacName "2-Chloro-1-phenylethanone"@en ;
dbo:pubchem "10757"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)CCl" ;
dbp:inchikey "IMACFCSSMIZSPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Clactfnn" ;
skos:prefLabel "2-chlooracetofenon"@nl .
csc:ZVFDTKUVRCTHQE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33599 ;
dbo:casNumber "105009-98-1" , "148384-02-5" , "68515-49-1" , "119394-45-5" , "26761-40-0" , "89-16-7" , "1341-39-5" ;
dbo:formula "C28H46O4" ;
dbo:inchi "InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3" ;
dbo:iupacName "bis(8-methylnonyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "33599"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C" ;
dbp:inchikey "ZVFDTKUVRCTHQE-UHFFFAOYSA-N" ;
skos:altLabel "C10-rijk di-C9-11-vertakt alkylftalaat"@nl , "diisodecylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C10D911akFt" , "DiC10yFt" ;
skos:prefLabel "di-isodecylftalaat (mix van isomeren)"@nl .
csc:PVNIIMVLHYAWGP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:938 ;
dbo:casNumber "123574-58-3" , "59-67-6" ;
dbo:formula "C6H5NO2" ;
dbo:inchi "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)" ;
dbo:iupacName "Pyridine-3-carboxylic acid"@en ;
dbo:pubchem "938"^^xsd:int ;
dbo:smiles "C1=CC(=CN=C1)C(=O)O" ;
dbp:inchikey "PVNIIMVLHYAWGP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002414 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "niacne" ;
skos:prefLabel "niacyne"@nl .
csc:GNPVGFCGXDBREM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6326954 ;
dbo:casNumber "129827-75-4" , "7440-56-4" ;
dbo:formula "Ge" ;
dbo:inchi "InChI=1S/Ge" ;
dbo:iupacName "GERMANIUM"@en ;
dbo:pubchem "6326954"^^xsd:int ;
dbo:smiles "[Ge]" ;
dbp:inchikey "GNPVGFCGXDBREM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ge" ;
skos:prefLabel "germanium"@nl .
csc:IOEJYZSZYUROLN-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8990 ;
dbo:casNumber "149099-81-0" , "19622-06-1" , "148-18-5" , "143189-63-3" ;
dbo:formula "C5H10NNaS2" ;
dbo:inchi "InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1" ;
dbo:iupacName "sodium diethylaminomethanedithioate"@en ;
dbo:pubchem "8990"^^xsd:int ;
dbo:smiles "CCN(CC)C(=S)[S-].[Na+]" ;
dbp:inchikey "IOEJYZSZYUROLN-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DEDC" ;
skos:prefLabel "diethyldithiocarbamaat"@nl .
csc:VZCYOOQTPOCHFL-OWOJBTEDSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:444972 ;
dbo:casNumber "6915-18-0" , "110-17-8" , "623158-97-4" , "110-16-7" ;
dbo:formula "C4H4O4" ;
dbo:inchi "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+" ;
dbo:iupacName "But-2-enedioic acid"@en ;
dbo:pubchem "444972"^^xsd:int ;
dbo:smiles "C(=CC(=O)O)C(=O)O" ;
dbp:inchikey "VZCYOOQTPOCHFL-OWOJBTEDSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malinzr" ;
skos:prefLabel "male\uFFFDnezuur"@nl .
csc:WQYWHGOKYSMVFW-ZOKDRQBOSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6440017 ;
dbo:casNumber "119791-41-2" ;
dbo:formula "C97H146O26" ;
dbo:inchi "InChI=1S/C49H74O13.C48H72O13/c1-11-26(3)44-29(6)18-19-48(62-44)24-36-22-35(61-48)17-16-28(5)43(27(4)14-13-15-34-25-55-46-41(50)30(7)20-37(47(52)58-36)49(34,46)53)59-39-21-33(12-2)45(32(9)57-39)60-40-23-38(54-10)42(51)31(8)56-40;1-11-32-20-38(56-31(9)44(32)59-39-22-37(53-10)41(50)30(8)55-39)58-43-26(4)13-12-14-33-24-54-45-40(49)29(7)19-36(48(33,45)52)46(51)57-35-21-34(16-15-27(43)5)60-47(23-35)18-17-28(6)42(61-47)25(2)3/h13-16,18-20,26-27,29,31-33,35-46,50-51,53H,11-12,17,21-25H2,1-10H3;12-15,17-19,25-26,28,30-32,34-45,49-50,52H,11,16,20-24H2,1-10H3/b14-13+,28-16+,34-15+;13-12+,27-15+,33-14+/t26-,27-,29-,31-,32-,33-,35+,36-,37-,38-,39-,40-,41+,42-,43-,44+,45-,46+,48+,49+;26-,28-,30-,31-,32-,34+,35-,36-,37-,38-,39-,40+,41-,42+,43-,44-,45+,47+,48+/m00/s1" ;
dbo:iupacName "(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-12'-[(2R,4S,5R,6S)-4-ethyl-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-21',24'-dihydroxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-12'-[(2R,4S,5R,6S)-4-ethyl-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one"@en ;
dbo:pubchem "6440017"^^xsd:int ;
dbo:smiles "CCC1CC(OC(C1OC2CC(C(C(O2)C)O)OC)C)OC3C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)OC6CC(CC=C3C)OC7(C6)C=CC(C(O7)C(C)C)C)O)C.CCC1CC(OC(C1OC2CC(C(C(O2)C)O)OC)C)OC3C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)OC6CC(CC=C3C)OC7(C6)C=CC(C(O7)C(C)CC)C)O)C" ;
dbp:inchikey "WQYWHGOKYSMVFW-ZOKDRQBOSA-N" ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "emmtn" ;
skos:prefLabel "emamectin"@nl .
csc:XAHBEACGJQDUPF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61115 ;
dbo:casNumber "431-86-7" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-1(2(5,6)7)3(8,9)10/h1H" ;
dbo:iupacName "1,2-DICHLORO-1,1,3,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61115"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(C(F)(F)Cl)Cl" ;
dbp:inchikey "XAHBEACGJQDUPF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225da" ;
skos:prefLabel "1,2-dichloor-1,1,3,3,3-pentafluorpropaan"@nl .
csc:SEPIRJBAIBYOSG-IGVRTFPHSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5359674 ;
dbo:casNumber "2013-58-3" ;
dbo:formula "C22H21ClN2O8" ;
dbo:inchi "InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26-28,32-33H,1,24H2,2-3H3/b21-13+/t10-,14-,15+,17+,22+/m1/s1" ;
dbo:iupacName "(2E,4S,4aR,5S,5aR,12aS)-2-(amino-hydroxymethylidene)-7-chloro-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione"@en ;
dbo:pubchem "5359674"^^xsd:int ;
dbo:smiles "CN(C)C1C2C(C3C(=C)C4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)Cl)O" ;
dbp:inchikey "SEPIRJBAIBYOSG-IGVRTFPHSA-N" ;
skos:broader csc:CHEMONTID_0000181 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mecccne" ;
skos:prefLabel "meclocycline"@nl .
csc:NIPDVSLAMPAWTP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7447 ;
dbo:casNumber "99-59-2" , "52756-54-4" ;
dbo:formula "C7H8N2O3" ;
dbo:inchi "InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3" ;
dbo:iupacName "2-Methoxy-5-nitroaniline"@en ;
dbo:pubchem "7447"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)[N+](=O)[O-])N" ;
dbp:inchikey "NIPDVSLAMPAWTP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5NO2oansdne" ;
skos:prefLabel "5-nitro-ortho-anisidine"@nl .
csc:LLLFASISUZUJEQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36867 ;
dbo:casNumber "34622-58-7" ;
dbo:formula "C12H16ClNOS" ;
dbo:inchi "InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "S-[(2-chlorophenyl)methyl] diethylaminomethanethioate"@en ;
dbo:pubchem "36867"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)SCC1=CC=CC=C1Cl" ;
dbp:inchikey "LLLFASISUZUJEQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "orbcb" ;
skos:prefLabel "orbencarb"@nl .
csc:RUETVLNXAGWCDS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:123504 ;
dbo:casNumber "42019-78-3" ;
dbo:formula "C13H9ClO2" ;
dbo:inchi "InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H" ;
dbo:iupacName "(4-chlorophenyl)-(4-hydroxyphenyl)methanone"@en ;
dbo:pubchem "123504"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "RUETVLNXAGWCDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl4HOxbzfnn" ;
skos:prefLabel "4-chloor-4'-hydroxybenzofenon"@nl .
csc:PJMPHNIQZUBGLI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3345 ;
dbo:casNumber "437-38-7" , "80832-90-2" ;
dbo:formula "C22H28N2O" ;
dbo:inchi "InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3" ;
dbo:iupacName "N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide"@en ;
dbo:pubchem "3345"^^xsd:int ;
dbo:smiles "CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "PJMPHNIQZUBGLI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000372 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentnl" ;
skos:prefLabel "fentanyl"@nl .
csc:PEGCITODQASXKH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:75041 ;
dbo:casNumber "2129-89-7" ;
dbo:formula "C13H13OP" ;
dbo:inchi "InChI=1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3" ;
dbo:iupacName "(methyl-phenylphosphoryl)benzene"@en ;
dbo:pubchem "75041"^^xsd:int ;
dbo:smiles "CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2" ;
dbp:inchikey "PEGCITODQASXKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001814 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yDFyPO" ;
skos:prefLabel "methyldifenylfosfineoxide"@nl .
csc:COBPKKZHLDDMTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8923 ;
dbo:casNumber "143-22-6" ;
dbo:formula "C10H22O4" ;
dbo:inchi "InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3" ;
dbo:iupacName "2-[2-(2-Butoxyethoxy)ethoxy]ethanol"@en ;
dbo:pubchem "8923"^^xsd:int ;
dbo:smiles "CCCCOCCOCCOCCO" ;
dbp:inchikey "COBPKKZHLDDMTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "222C4oxC2oxC" ;
skos:prefLabel "2-(2-(2-butoxyethoxy)ethoxy)ethanol"@nl .
csc:MZZBPDKVEFVLFF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:30773 ;
dbo:casNumber "21725-46-2" , "11096-88-1" , "12679-53-7" ;
dbo:formula "C9H13ClN6" ;
dbo:inchi "InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "2-[(4-chloro-6-ethylamino-1,3,5-triazin-2-yl)amino]-2-methylpropanenitrile"@en ;
dbo:pubchem "30773"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N" ;
dbp:inchikey "MZZBPDKVEFVLFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001693 ;
skos:exactMatch wise:CAS_21725-46-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CNazne" ;
skos:prefLabel "cyanazine"@nl ;
vcs:vmmParameterId "270"^^xsd:int .
csc:HFBWPRKWDIRYNX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15951 ;
dbo:casNumber "1912-26-1" ;
dbo:formula "C9H16ClN5" ;
dbo:inchi "InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)" ;
dbo:iupacName "6-Chloro-N,N,N'-triethyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "15951"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)N(CC)CC" ;
dbp:inchikey "HFBWPRKWDIRYNX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tetzne" ;
skos:prefLabel "trietazine"@nl .
csc:CZIHNRWJTSTCEX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5897 ;
dbo:casNumber "2508-21-6" , "53-96-3" ;
dbo:formula "C15H13NO" ;
dbo:inchi "InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)" ;
dbo:iupacName "N-(9H-Fluoren-2-yl)acetamide"@en ;
dbo:pubchem "5897"^^xsd:int ;
dbo:smiles "CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2" ;
dbp:inchikey "CZIHNRWJTSTCEX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2actAoFle" ;
skos:prefLabel "2-acetylaminofluoreen"@nl .
csc:ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31200 ;
dbo:casNumber "12764-87-3" , "54182-70-6" , "122-14-5" , "94650-98-3" ;
dbo:formula "C9H12NO5PS" ;
dbo:inchi "InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" ;
dbo:iupacName "dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "31200"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-]" ;
dbp:inchikey "ZNOLGFHPUIJIMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_122-14-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "feNO2ton" ;
skos:prefLabel "fenitrothion"@nl ;
vcs:vmmParameterId "399"^^xsd:int .
csc:OQMBBFQZGJFLBU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:39327 ;
dbo:casNumber "42874-03-3" ;
dbo:formula "C15H11ClF3NO4" ;
dbo:inchi "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" ;
dbo:iupacName "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethoxy-1-nitrobenzene"@en ;
dbo:pubchem "39327"^^xsd:int ;
dbo:smiles "CCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]" ;
dbp:inchikey "OQMBBFQZGJFLBU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OxFfn" ;
skos:prefLabel "oxyfluorfen"@nl .
csc:BGRWYDHXPHLNKA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66347 ;
dbo:casNumber "10543-57-4" ;
dbo:formula "C10H16N2O4" ;
dbo:inchi "InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3" ;
dbo:iupacName "N-acetyl-N-[2-(diacetylamino)ethyl]acetamide"@en ;
dbo:pubchem "66347"^^xsd:int ;
dbo:smiles "CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C" ;
dbp:inchikey "BGRWYDHXPHLNKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001658 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TAED" ;
skos:prefLabel "tetraacetylethyleendiamine"@nl .
csc:SECXISVLQFMRJM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:13387 ;
dbo:casNumber "53774-35-9" , "57762-46-6" , "51013-18-4" , "30207-69-3" , "872-50-4" , "26138-58-9" ;
dbo:formula "C5H9NO" ;
dbo:inchi "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" ;
dbo:iupacName "1-methylpyrrolidin-2-one"@en ;
dbo:pubchem "13387"^^xsd:int ;
dbo:smiles "CN1CCCC1=O" ;
dbp:inchikey "SECXISVLQFMRJM-UHFFFAOYSA-N" ;
skos:altLabel "N-methylpyrrolidon "@nl , "n-methylpyrrolidon"@nl ;
skos:broader csc:CHEMONTID_0003449 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y2prldnn" ;
skos:prefLabel "1-methyl-2-pyrrolidinon"@nl .
csc:RUIFULUFLANOCI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12067 ;
dbo:casNumber "618-85-9" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "1-Methyl-3,5-dinitrobenzene"@en ;
dbo:pubchem "12067"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "RUIFULUFLANOCI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DNO2Tol" ;
skos:prefLabel "3,5-dinitrotolueen"@nl .
csc:MRBKEAMVRSLQPH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8456 ;
dbo:casNumber "921-00-6" , "1341-82-8" , "121-00-6" , "25013-16-5" ;
dbo:formula "C11H16O2" ;
dbo:inchi "InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3" ;
dbo:iupacName "2-tert-Butyl-4-methoxyphenol"@en ;
dbo:pubchem "8456"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=C(C=CC(=C1)OC)O" ;
dbp:inchikey "MRBKEAMVRSLQPH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000190 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ttC4y4C1oxF" ;
skos:prefLabel "2-tert-butyl-4-methoxyfenol"@nl .
csc:QGPQTSCLUYMZHL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61560 ;
dbo:casNumber "12259-21-1" , "1309-37-1" ;
dbo:formula "Fe2H2O4" ;
dbo:inchi "InChI=1S/2Fe.H2O.3O/h;;1H2;;;/q2*+3;;3*-2" ;
dbo:iupacName "iron(+3) cation; oxygen(-2) anion; hydrate"@en ;
dbo:pubchem "61560"^^xsd:int ;
dbo:smiles "O.[O-2].[O-2].[O-2].[Fe+3].[Fe+3]" ;
dbp:inchikey "QGPQTSCLUYMZHL-UHFFFAOYSA-N" ;
skos:altLabel "ijzer(III)oxide"@nl ;
skos:broader csc:CHEMONTID_0001270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeIIIO" ;
skos:prefLabel "ijzer(iii)oxide"@nl .
csc:WUAPFZMCVAUBPE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23947 ;
dbo:casNumber "7440-15-5" , "22541-28-2" ;
dbo:formula "Re" ;
dbo:inchi "InChI=1S/Re" ;
dbo:iupacName "RHENIUM"@en ;
dbo:pubchem "23947"^^xsd:int ;
dbo:smiles "[Re]" ;
dbp:inchikey "WUAPFZMCVAUBPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Re" ;
skos:prefLabel "renium"@nl .
csc:NIIPNAJXERMYOG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:43369 ;
dbo:casNumber "1741-01-1" ;
dbo:formula "C3H10N2" ;
dbo:inchi "InChI=1S/C3H10N2/c1-4-5(2)3/h4H,1-3H3" ;
dbo:iupacName "1,1,2-trimethylhydrazine"@en ;
dbo:pubchem "43369"^^xsd:int ;
dbo:smiles "CNN(C)C" ;
dbp:inchikey "NIIPNAJXERMYOG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004511 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yhdzne" ;
skos:prefLabel "trimethylhydrazine"@nl .
csc:URLKBWYHVLBVBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'xylenen'"@nl ;
rdfs:seeAlso compound:7809 ;
dbo:casNumber "68411-39-2" , "106-42-3" , "68650-36-2" ;
dbo:formula "C8H10" ;
dbo:inchi "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" ;
dbo:iupacName "1,4-Dimethylbenzene"@en ;
dbo:pubchem "7809"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)C" ;
dbp:inchikey "URLKBWYHVLBVBO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_001 , co:LUC_IV_011 ;
skos:altLabel "1,4-xyleen"@nl , "p-xyleen"@nl ;
skos:broader csc:CHEMONTID_0004211 ;
skos:exactMatch wise:CAS_106-42-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14xyln" ;
skos:prefLabel "para-xyleen"@nl ;
vcs:vmmParameterId "220"^^xsd:int .
csc:ZLSWBLPERHFHIS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7158 ;
dbo:casNumber "93-72-1" , "32795-97-4" , "7361-37-7" ;
dbo:formula "C9H7Cl3O3" ;
dbo:inchi "InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)" ;
dbo:iupacName "2-(2,4,5-trichlorophenoxy)propanoic acid"@en ;
dbo:pubchem "7158"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "ZLSWBLPERHFHIS-UHFFFAOYSA-N" ;
skos:altLabel "2,4,5-trichloorfenoxypropionzuur"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:exactMatch wise:CAS_93-72-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "245TP" ;
skos:prefLabel "fenoprop"@nl ;
vcs:vmmParameterId "1002"^^xsd:int .
csc:QHRSESMSOJZMCO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:18774 ;
dbo:casNumber "3347-62-4" ;
dbo:formula "C10H10N2" ;
dbo:inchi "InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)" ;
dbo:iupacName "3-methyl-5-phenyl-2H-pyrazole"@en ;
dbo:pubchem "18774"^^xsd:int ;
dbo:smiles "CC1=CC(=NN1)C2=CC=CC=C2" ;
dbp:inchikey "QHRSESMSOJZMCO-UHFFFAOYSA-N" ;
skos:altLabel "3-methyl-5-fenyl-1H-pyrazol"@nl ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1y5Fy1Hprz" ;
skos:prefLabel "3-methyl-5-fenyl-1h-pyrazol"@nl .
csc:ATLMFJTZZPOKLC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16131935 ;
dbo:casNumber "115383-22-7" ;
dbo:formula "C70" ;
dbo:inchi "InChI=1S/C70/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64" ;
dbo:iupacName "(C70-D5h(6))[5,6]fullerene"@en ;
dbo:pubchem "16131935"^^xsd:int ;
dbo:smiles "C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27" ;
dbp:inchikey "ATLMFJTZZPOKLC-UHFFFAOYSA-N" ;
skos:altLabel "fullereen C70"@nl ;
skos:broader csc:CHEMONTID_0000316 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fullrnC70" ;
skos:prefLabel "fullereen c70"@nl .
csc:CONWAEURSVPLRM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62276 ;
dbo:casNumber "77501-63-4" , "143956-87-0" , "83513-60-4" ;
dbo:formula "C19H15ClF3NO7" ;
dbo:inchi "InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3" ;
dbo:iupacName "(1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate"@en ;
dbo:pubchem "62276"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]" ;
dbp:inchikey "CONWAEURSVPLRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lactfn" ;
skos:prefLabel "lactofen"@nl .
csc:NTHXOOBQLCIOLC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3730 ;
dbo:casNumber "66108-95-0" ;
dbo:formula "C19H26I3N3O9" ;
dbo:inchi "InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)" ;
dbo:iupacName "5-(acetyl-(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "3730"^^xsd:int ;
dbo:smiles "CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I" ;
dbp:inchikey "NTHXOOBQLCIOLC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004718 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "johxl" ;
skos:prefLabel "johexol"@nl .
csc:VTQWKUZUPOTXEH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5360414 ;
dbo:casNumber "13181-17-4" ;
dbo:formula "C13H7Br2N3O6" ;
dbo:inchi "InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,16H" ;
dbo:iupacName "2,6-dibromo-4-[[(2,4-dinitrophenoxy)amino]methylidene]cyclohexa-2,5-dien-1-one"@en ;
dbo:pubchem "5360414"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ONC=C2C=C(C(=O)C(=C2)Br)Br" ;
dbp:inchikey "VTQWKUZUPOTXEH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Brfnxm" ;
skos:prefLabel "broomfenoxim"@nl .
csc:STJMRWALKKWQGH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2783 ;
dbo:casNumber "37148-27-9" , "50306-03-1" , "50499-60-0" ;
dbo:formula "C12H18Cl2N2O" ;
dbo:inchi "InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3" ;
dbo:iupacName "1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol"@en ;
dbo:pubchem "2783"^^xsd:int ;
dbo:smiles "CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O" ;
dbp:inchikey "STJMRWALKKWQGH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clenbtrl" ;
skos:prefLabel "clenbuterol"@nl .
csc:BFGKITSFLPAWGI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27668 ;
dbo:casNumber "16065-83-1" ;
dbo:formula "Cr+3" ;
dbo:inchi "InChI=1S/Cr/q+3" ;
dbo:iupacName "chromium(+3) cation"@en ;
dbo:pubchem "27668"^^xsd:int ;
dbo:smiles "[Cr+3]" ;
dbp:inchikey "BFGKITSFLPAWGI-UHFFFAOYSA-N" ;
skos:altLabel "chroom (driewaardig)"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CrIII" ;
skos:prefLabel "chroom, driewaardig, opgelost"@nl .
csc:HHUQPWODPBDTLI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:119361 ;
dbo:casNumber "120983-64-4" ;
dbo:formula "C14H15Cl2N3O" ;
dbo:inchi "InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2" ;
dbo:iupacName "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol"@en ;
dbo:pubchem "119361"^^xsd:int ;
dbo:smiles "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl" ;
dbp:inchikey "HHUQPWODPBDTLI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protocnzdto" ;
skos:prefLabel "prothioconazol-desthio"@nl .
csc:FBOUIAKEJMZPQG-AWNIVKPZSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436605 ;
dbo:casNumber "83657-24-3" , "101179-53-7" , "76714-88-0" , "70217-36-6" ;
dbo:formula "C15H17Cl2N3O" ;
dbo:inchi "InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+" ;
dbo:iupacName "['1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol', '(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol']"@en ;
dbo:pubchem "6436605"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O" ;
dbp:inchikey "FBOUIAKEJMZPQG-AWNIVKPZSA-N" ;
skos:broader csc:CHEMONTID_0002754 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dncnzl" ;
skos:prefLabel "diniconazool"@nl .
csc:WYVVKGNFXHOCQV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62097 ;
dbo:casNumber "161849-41-8" , "55406-53-6" , "104732-42-5" , "84826-91-5" , "85045-09-6" ;
dbo:formula "C8H12INO2" ;
dbo:inchi "InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)" ;
dbo:iupacName "3-iodoprop-2-ynyl N-butylcarbamate"@en ;
dbo:pubchem "62097"^^xsd:int ;
dbo:smiles "CCCCNC(=O)OCC#CI" ;
dbp:inchikey "WYVVKGNFXHOCQV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "IppnC4ycbmt" ;
skos:prefLabel "joodpropynylbutylcarbamaat"@nl .
csc:UVCJGUGAGLDPAA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33919 ;
dbo:casNumber "27503-81-7" , "165659-93-8" ;
dbo:formula "C13H10N2O3S" ;
dbo:inchi "InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)" ;
dbo:iupacName "2-phenyl-3H-benzimidazole-5-sulfonic acid"@en ;
dbo:pubchem "33919"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O" ;
dbp:inchikey "UVCJGUGAGLDPAA-UHFFFAOYSA-N" ;
skos:altLabel "2-fenyl-1H-benzimidazol-5-sulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0000330 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Fy1Hbzmdz5s" ;
skos:prefLabel "2-fenyl-1h-benzimidazol-5-sulfonzuur"@nl .
csc:XUXNAKZDHHEHPC-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24607 ;
dbo:casNumber "38869-76-0" , "7789-38-0" , "38869-75-9" ;
dbo:formula "BrNaO3" ;
dbo:inchi "InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1" ;
dbo:iupacName "SODIUM BROMATE"@en ;
dbo:pubchem "24607"^^xsd:int ;
dbo:smiles "[O-]Br(=O)=O.[Na+]" ;
dbp:inchikey "XUXNAKZDHHEHPC-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaBrO3" ;
skos:prefLabel "natriumbromaat"@nl .
csc:TVFDJXOCXUVLDH-RNFDNDRNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5486527 ;
dbo:casNumber "10045-97-3" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs/i1+4" ;
dbo:iupacName "cesium-137"@en ;
dbo:pubchem "5486527"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "TVFDJXOCXUVLDH-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs137" ;
skos:prefLabel "cesium 137"@nl .
csc:RCINICONZNJXQF-VAZQATRQSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:441276 ;
dbo:casNumber "33069-62-4" ;
dbo:formula "C47H51NO14" ;
dbo:inchi "InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1" ;
dbo:iupacName "[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"@en ;
dbo:pubchem "441276"^^xsd:int ;
dbo:smiles "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C" ;
dbp:inchikey "RCINICONZNJXQF-VAZQATRQSA-N" ;
skos:broader csc:CHEMONTID_0000676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pactxl" ;
skos:prefLabel "paclitaxel"@nl .
csc:ORYGKUIDIMIRNN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6537506 ;
dbo:casNumber "32536-52-0" ;
dbo:formula "C12H2Br8O" ;
dbo:inchi "InChI=1S/C12H2Br8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H" ;
dbo:iupacName "1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene"@en ;
dbo:pubchem "6537506"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=CC(=C(C(=C2Br)Br)Br)Br" ;
dbp:inchikey "ORYGKUIDIMIRNN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_32536-52-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "octabroomdifenylether"@nl ;
vcs:vmmParameterId "1461"^^xsd:int .
csc:ISPYQTSUDJAMAB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7245 ;
dbo:casNumber "95-57-8" , "25167-80-0" ;
dbo:formula "C6H5ClO" ;
dbo:inchi "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H" ;
dbo:iupacName "2-Chlorophenol"@en ;
dbo:pubchem "7245"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)O)Cl" ;
dbp:inchikey "ISPYQTSUDJAMAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002771 ;
skos:exactMatch wise:CAS_95-57-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClFol" ;
skos:prefLabel "2-chloorfenol"@nl ;
vcs:vmmParameterId "352"^^xsd:int .
csc:IMUDHTPIFIBORV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8795 ;
dbo:casNumber "140-31-8" ;
dbo:formula "C6H15N3" ;
dbo:inchi "InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2" ;
dbo:iupacName "2-piperazin-1-ylethanamine"@en ;
dbo:pubchem "8795"^^xsd:int ;
dbo:smiles "C1CN(CCN1)CCN" ;
dbp:inchikey "IMUDHTPIFIBORV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2AoC2ypprzne" ;
skos:prefLabel "2-aminoethylpiperazine"@nl .
csc:UDHXJZHVNHGCEC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19402 ;
dbo:casNumber "3691-35-8" ;
dbo:formula "C23H15ClO3" ;
dbo:inchi "InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H" ;
dbo:iupacName "2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione"@en ;
dbo:pubchem "19402"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O" ;
dbp:inchikey "UDHXJZHVNHGCEC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clfcnn" ;
skos:prefLabel "chloorfacinon"@nl .
csc:STRTXDFFNXSZQB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21917771 ;
dbo:casNumber "156-62-7" ;
dbo:formula "CH2CaN2+2" ;
dbo:inchi "InChI=1S/CH2N2.Ca/c2-1-3;/h2H2;/q;+2" ;
dbo:iupacName "CALCIUM CYANAMIDE"@en ;
dbo:pubchem "21917771"^^xsd:int ;
dbo:smiles "C(#N)N.[Ca+2]" ;
dbp:inchikey "STRTXDFFNXSZQB-UHFFFAOYSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CacaAd" ;
skos:prefLabel "calciumcyanamide"@nl .
csc:LFNLGNPSGWYGGD-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167422 ;
dbo:casNumber "15766-25-3" ;
dbo:formula "Np" ;
dbo:inchi "InChI=1S/Np/i1+1" ;
dbo:iupacName "neptunium-238"@en ;
dbo:pubchem "167422"^^xsd:int ;
dbo:smiles "[Np]" ;
dbp:inchikey "LFNLGNPSGWYGGD-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Np238" ;
skos:prefLabel "neptunium 238"@nl .
csc:GWHCXVQVJPWHRF-KTKRTIGZSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281120 ;
dbo:casNumber "506-37-6" ;
dbo:formula "C24H46O2" ;
dbo:inchi "InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-" ;
dbo:iupacName "(Z)-tetracos-15-enoic acid"@en ;
dbo:pubchem "5281120"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "GWHCXVQVJPWHRF-KTKRTIGZSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c15C24ezr" ;
skos:prefLabel "cis-15-tetracoseenzuur"@nl .
csc:UCNVFOCBFJOQAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3035 ;
dbo:casNumber "72-55-9" , "12002-54-9" , "68679-99-2" ;
dbo:formula "C14H8Cl4" ;
dbo:inchi "InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H" ;
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene"@en ;
dbo:pubchem "3035"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "UCNVFOCBFJOQAL-UHFFFAOYSA-N" ;
skos:altLabel "4,4'-dichloordifenyldichlooretheen"@nl , "p,p\uFFFD-dde"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_72-55-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DDE" ;
skos:prefLabel "pp'dichloordifenyldichlooretheen"@nl ;
vcs:vmmParameterId "262"^^xsd:int .
csc:OZVBMTJYIDMWIL-AYFBDAFISA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31101 ;
dbo:casNumber "25614-03-3" ;
dbo:formula "C32H40BrN5O5" ;
dbo:inchi "InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1" ;
dbo:iupacName "(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide"@en ;
dbo:pubchem "31101"^^xsd:int ;
dbo:smiles "CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O" ;
dbp:inchikey "OZVBMTJYIDMWIL-AYFBDAFISA-N" ;
skos:broader csc:CHEMONTID_0002746 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Brctne" ;
skos:prefLabel "bromocriptine"@nl .
csc:RYGMFSIKBFXOCR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23978 ;
dbo:casNumber "133353-47-6" , "72514-83-1" , "65555-90-0" , "133353-46-5" , "195161-80-9" , "7440-50-8" ;
dbo:formula "Cu" ;
dbo:inchi "InChI=1S/Cu" ;
dbo:iupacName "Copper"@en ;
dbo:pubchem "23978"^^xsd:int ;
dbo:smiles "[Cu]" ;
dbp:inchikey "RYGMFSIKBFXOCR-UHFFFAOYSA-N" ;
skos:altLabel "koper"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7440-50-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cu" ;
skos:prefLabel "koper, opgelost"@nl ;
vcs:vmmParameterId "165"^^xsd:int , "163"^^xsd:int , "164"^^xsd:int , "1931"^^xsd:int .
csc:ZXQYGBMAQZUVMI-UNOMPAQXSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281873 ;
dbo:casNumber "68085-85-8" ;
dbo:formula "C23H19ClF3NO3" ;
dbo:inchi "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-" ;
dbo:iupacName "['[cyano-[3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate']"@en ;
dbo:pubchem "5281873"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C" ;
dbp:inchikey "ZXQYGBMAQZUVMI-UNOMPAQXSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyhltn" ;
skos:prefLabel "cyhalothrin"@nl .
csc:VPNGEIHDPSLNMU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:68601 ;
dbo:casNumber "86347-15-1" , "86347-14-0" ;
dbo:formula "C13H17ClN2" ;
dbo:inchi "InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H" ;
dbo:iupacName "4-[1-(2,3-dimethylphenyl)ethyl]-3H-imidazole hydrochloride"@en ;
dbo:pubchem "68601"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl" ;
dbp:inchikey "VPNGEIHDPSLNMU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "medtmdneHCl" ;
skos:prefLabel "medetomidine hydrochloride"@nl .
csc:KVGLBTYUCJYMND-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13676 ;
dbo:casNumber "944-22-9" , "66767-39-3" ;
dbo:formula "C10H15OPS2" ;
dbo:inchi "InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3" ;
dbo:iupacName "ethoxy-ethyl-phenylsulfanyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "13676"^^xsd:int ;
dbo:smiles "CCOP(=S)(CC)SC1=CC=CC=C1" ;
dbp:inchikey "KVGLBTYUCJYMND-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_944-22-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fonfs" ;
skos:prefLabel "fonofos"@nl ;
vcs:vmmParameterId "805"^^xsd:int .
csc:FAPWRFPIFSIZLT-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5234 ;
dbo:casNumber "8028-77-1" , "32343-72-9" , "11062-32-1" , "14762-51-7" , "14784-90-8" , "7647-14-5" , "11062-43-4" ;
dbo:formula "ClNa" ;
dbo:inchi "InChI=1S/ClH.Na/h1H;/q;+1/p-1" ;
dbo:iupacName "Sodium chloride"@en ;
dbo:pubchem "5234"^^xsd:int ;
dbo:smiles "[Na+].[Cl-]" ;
dbp:inchikey "FAPWRFPIFSIZLT-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000563 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaCl" ;
skos:prefLabel "natriumchloride"@nl .
csc:VIONGDJUYAYOPU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:119688 ;
dbo:casNumber "27619-97-2" ;
dbo:formula "C8H5F13O3S" ;
dbo:inchi "InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)" ;
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid"@en ;
dbo:pubchem "119688"^^xsd:int ;
dbo:smiles "C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "VIONGDJUYAYOPU-UHFFFAOYSA-N" ;
skos:altLabel "6:2 fluortelomeersulfonzuur (6:2 fts)"@nl , "2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 fts)"@nl , "2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 FTS)"@nl , "6:2 fluortelomeersulfonzuur"@nl , "1H,1H,2H,2H-perfluorooctaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0001179 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6:2 FTS" , "H4PFOS" , "2PFC6yC2a1sf" ;
skos:prefLabel "1h,1h,2h,2h-perfluorooctaansulfonzuur"@nl .
csc:YPFDHNVEDLHUCE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10442 ;
dbo:casNumber "757125-93-2" , "504-63-2" ;
dbo:formula "C3H8O2" ;
dbo:inchi "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" ;
dbo:iupacName "Propane-1,3-diol"@en ;
dbo:pubchem "10442"^^xsd:int ;
dbo:smiles "C(CO)CO" ;
dbp:inchikey "YPFDHNVEDLHUCE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yegcl" ;
skos:prefLabel "trimethyleenglycol (1,3-propyleenglycol)"@nl .
csc:IUTPYMGCWINGEY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:35823 ;
dbo:casNumber "31508-00-6" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "35823"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "IUTPYMGCWINGEY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB 118"@nl , "2,3',4,4',5-pentachloorbifenyl (pcb118)"@nl , "pcb 118"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_31508-00-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB118" ;
skos:prefLabel "2,3',4,4',5-pentachloorbifenyl"@nl ;
vcs:vmmParameterId "1413"^^xsd:int , "442"^^xsd:int .
csc:ILKJAFIWWBXGDU-WRRBAOOESA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:39858 ;
dbo:casNumber "51022-69-6" ;
dbo:formula "C28H35FO7" ;
dbo:inchi "InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19?,20-,21-,23+,24?,25?,27-,28+/m0/s1" ;
dbo:iupacName "[2-[(2S,4R,8S,11S,12R)-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxospiro[5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,1'-cyclopentane]-8-yl]-2-oxoethyl] acetate"@en ;
dbo:pubchem "39858"^^xsd:int ;
dbo:smiles "CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)OC6(O2)CCCC6" ;
dbp:inchikey "ILKJAFIWWBXGDU-WRRBAOOESA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amcnnde" ;
skos:prefLabel "amcinonide"@nl .
csc:HOMGKSMUEGBAAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3690 ;
dbo:casNumber "84711-20-6" , "66849-34-1" , "36341-88-5" , "66849-33-0" , "3778-73-2" ;
dbo:formula "C7H15Cl2N2O2P" ;
dbo:inchi "InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)" ;
dbo:iupacName "['(2S)-N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', '(2R)-N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,3-bis(2-chloroethyl)-2-hydroxy-1,3,2-oxazaphosphinan-2-ium-2-amine']"@en ;
dbo:pubchem "3690"^^xsd:int ;
dbo:smiles "C1CN(P(=O)(OC1)NCCCl)CCCl" ;
dbp:inchikey "HOMGKSMUEGBAAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002858 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iffAd" ;
skos:prefLabel "ifosfamide"@nl .
csc:ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:6560 ;
dbo:casNumber "68989-27-5" , "78-83-1" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" ;
dbo:iupacName "2-Methylpropan-1-ol"@en ;
dbo:pubchem "6560"^^xsd:int ;
dbo:smiles "CC(C)CO" ;
dbp:inchikey "ZXEKIIBDNHEJCQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_009 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:altLabel "2-methylpropanol (iso-butanol)"@nl ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC3ol" ;
skos:prefLabel "isobutanol"@nl .
csc:LINPIYWFGCPVIE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6914 ;
dbo:casNumber "88-06-2" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" ;
dbo:iupacName "2,4,6-Trichlorophenol"@en ;
dbo:pubchem "6914"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)O)Cl)Cl" ;
dbp:inchikey "LINPIYWFGCPVIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_88-06-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TClFol" ;
skos:prefLabel "2,4,6-trichloorfenol"@nl ;
vcs:vmmParameterId "345"^^xsd:int .
csc:DNTGGZPQPQTDQF-XBXARRHUSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:688020 ;
dbo:casNumber "483-63-6" ;
dbo:formula "C13H17NO" ;
dbo:inchi "InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+" ;
dbo:iupacName "['(E)-N-ethyl-N-(2-methylphenyl)but-2-enamide', 'N-ethyl-N-(2-methylphenyl)but-2-enamide']"@en ;
dbo:pubchem "688020"^^xsd:int ;
dbo:smiles "CCN(C1=CC=CC=C1C)C(=O)C=CC" ;
dbp:inchikey "DNTGGZPQPQTDQF-XBXARRHUSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "crotmtn" ;
skos:prefLabel "crotamiton"@nl .
csc:ICBJCVRQDSQPGI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:78484 ;
dbo:casNumber "4747-07-3" ;
dbo:formula "C7H16O" ;
dbo:inchi "InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3" ;
dbo:iupacName "1-Methoxyhexane"@en ;
dbo:pubchem "78484"^^xsd:int ;
dbo:smiles "CCCCCCOC" ;
dbp:inchikey "ICBJCVRQDSQPGI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1oxC6a" ;
skos:prefLabel "1-methoxyhexaan"@nl .
csc:XJDNKRIXUMDJCW-UHFFFAOYSA-J
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24193 ;
dbo:casNumber "11130-18-0" , "7550-45-0" , "44246-22-2" , "15612-71-2" , "7705-07-9" ;
dbo:formula "Cl4Ti" ;
dbo:inchi "InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4" ;
dbo:iupacName "['titanium(+4) cation tetrachloride', 'Tetrachlorotitanium']"@en ;
dbo:pubchem "24193"^^xsd:int ;
dbo:smiles "Cl[Ti](Cl)(Cl)Cl" ;
dbp:inchikey "XJDNKRIXUMDJCW-UHFFFAOYSA-J" ;
skos:broader csc:CHEMONTID_0000588 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TiT4Cl" ;
skos:prefLabel "titaantetrachloride"@nl .
csc:PJSFRIWCGOHTNF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17134 ;
dbo:casNumber "2447-57-6" ;
dbo:formula "C12H14N4O4S" ;
dbo:inchi "InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)" ;
dbo:iupacName "4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide"@en ;
dbo:pubchem "17134"^^xsd:int ;
dbo:smiles "COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "PJSFRIWCGOHTNF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfdxne" ;
skos:prefLabel "sulfadoxine"@nl .
csc:OWUZCVPRFKSBRG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91748 ;
dbo:casNumber "90035-08-8" ;
dbo:formula "C33H25F3O4" ;
dbo:inchi "InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,38H,17-19H2" ;
dbo:iupacName "2-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one"@en ;
dbo:pubchem "91748"^^xsd:int ;
dbo:smiles "C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)OCC6=CC=C(C=C6)C(F)(F)F" ;
dbp:inchikey "OWUZCVPRFKSBRG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002044 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flocmfn" ;
skos:prefLabel "flocoumafen"@nl .
csc:MFXAFJHONPALGF-UHFFFAOYSA-J
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16205018 ;
dbo:casNumber "22397-58-6" , "151-41-7" ;
dbo:formula "C12H26O8S2Zn-2" ;
dbo:inchi "InChI=1S/C12H26.2H2O4S.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-5(2,3)4;/h3-12H2,1-2H3;2*(H2,1,2,3,4);/q;;;+2/p-4" ;
dbo:iupacName "zinc dodecane disulfate"@en ;
dbo:pubchem "16205018"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zn+2]" ;
dbp:inchikey "MFXAFJHONPALGF-UHFFFAOYSA-J" ;
skos:broader csc:CHEMONTID_0003929 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12ySO4" ;
skos:prefLabel "laurylsulfaat"@nl .
csc:FZLIPJUXYLNCLC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23926 ;
dbo:casNumber "14762-71-1" , "110123-48-3" , "17643-88-8" , "7439-91-0" ;
dbo:formula "La" ;
dbo:inchi "InChI=1S/La" ;
dbo:iupacName "LANTHANUM"@en ;
dbo:pubchem "23926"^^xsd:int ;
dbo:smiles "[La]" ;
dbp:inchikey "FZLIPJUXYLNCLC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "La" ;
skos:prefLabel "lanthaan"@nl .
csc:IRCMYGHHKLLGHV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:33360 ;
dbo:casNumber "26225-79-6" ;
dbo:formula "C13H18O5S" ;
dbo:inchi "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" ;
dbo:iupacName "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate"@en ;
dbo:pubchem "33360"^^xsd:int ;
dbo:smiles "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" ;
dbp:inchikey "IRCMYGHHKLLGHV-UHFFFAOYSA-N" ;
skos:altLabel "ethofumesate"@nl ;
skos:broader csc:CHEMONTID_0004189 ;
skos:exactMatch wise:CAS_26225-79-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfmst" ;
skos:prefLabel "ethofumesaat"@nl ;
vcs:vmmParameterId "1021"^^xsd:int .
csc:AYOHIQLKSOJJQH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6484 ;
dbo:casNumber "1002-53-5" ;
dbo:formula "C8H18Sn" ;
dbo:inchi "InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;" ;
dbo:iupacName "dibutyltin"@en ;
dbo:pubchem "6484"^^xsd:int ;
dbo:smiles "CCCC[Sn]CCCC" ;
dbp:inchikey "AYOHIQLKSOJJQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001524 ;
skos:exactMatch wise:CAS_1002-53-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "dibutyltin"@nl ;
vcs:vmmParameterId "672"^^xsd:int .
csc:QXFUBAAEKCHBQY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:84788 ;
dbo:casNumber "15090-23-0" ;
dbo:formula "C4H9O4P" ;
dbo:inchi "InChI=1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" ;
dbo:iupacName "3-(hydroxy-methylphosphoryl)propanoic acid"@en ;
dbo:pubchem "84788"^^xsd:int ;
dbo:smiles "CP(=O)(CCC(=O)O)O" ;
dbp:inchikey "QXFUBAAEKCHBQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yPppozr" ;
skos:prefLabel "3-(hydroxymethylfosfinoyl)propionzuur"@nl .
csc:ZOKXTWBITQBERF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23932 ;
dbo:casNumber "7439-98-7" , "22541-84-0" , "16065-87-5" ;
dbo:formula "Mo" ;
dbo:inchi "InChI=1S/Mo" ;
dbo:iupacName "Molybdenum"@en ;
dbo:pubchem "23932"^^xsd:int ;
dbo:smiles "[Mo]" ;
dbp:inchikey "ZOKXTWBITQBERF-UHFFFAOYSA-N" ;
skos:altLabel "molybdeen, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7439-98-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mo" ;
skos:prefLabel "molybdeen"@nl ;
vcs:vmmParameterId "177"^^xsd:int , "1949"^^xsd:int , "176"^^xsd:int , "175"^^xsd:int .
csc:CLWAXFZCVYJLLM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:20993 ;
dbo:casNumber "4860-03-1" ;
dbo:formula "C16H33Cl" ;
dbo:inchi "InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3" ;
dbo:iupacName "1-Chlorohexadecane"@en ;
dbo:pubchem "20993"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCl" ;
dbp:inchikey "CLWAXFZCVYJLLM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClC16a" ;
skos:prefLabel "1-chloorhexadecaan"@nl .
csc:UMNKXPULIDJLSU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6370 ;
dbo:casNumber "39289-28-6" , "75-43-4" ;
dbo:formula "CHCl2F" ;
dbo:inchi "InChI=1S/CHCl2F/c2-1(3)4/h1H" ;
dbo:iupacName "dichloro-fluoromethane"@en ;
dbo:pubchem "6370"^^xsd:int ;
dbo:smiles "C(F)(Cl)Cl" ;
dbp:inchikey "UMNKXPULIDJLSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK21" ;
skos:prefLabel "dichloorfluormethaan"@nl .
csc:FAXIJTUDSBIMHY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24722 ;
dbo:casNumber "8065-48-3" , "8058-73-9" , "34624-53-8" , "8000-97-3" ;
dbo:formula "C16H38O6P2S4" ;
dbo:inchi "InChI=1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane; 1-(2-diethoxyphosphorylsulfanylethylsulfanyl)ethane"@en ;
dbo:pubchem "24722"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC" ;
dbp:inchikey "FAXIJTUDSBIMHY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003384 ;
skos:exactMatch wise:CAS_8065-48-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "demeton"@nl ;
vcs:vmmParameterId "898"^^xsd:int .
csc:LOCHFZBWPCLPAN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10560 ;
dbo:casNumber "513-53-1" , "91840-99-2" ;
dbo:formula "C4H10S" ;
dbo:inchi "InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3" ;
dbo:iupacName "butane-2-thiol"@en ;
dbo:pubchem "10560"^^xsd:int ;
dbo:smiles "CCC(C)S" ;
dbp:inchikey "LOCHFZBWPCLPAN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4atol" ;
skos:prefLabel "2-butaanthiol"@nl .
csc:RIFGWPKJUGCATF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10928 ;
dbo:casNumber "52803-29-9" , "541-41-3" ;
dbo:formula "C3H5ClO2" ;
dbo:inchi "InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3" ;
dbo:iupacName "ETHYL CHLOROFORMATE"@en ;
dbo:pubchem "10928"^^xsd:int ;
dbo:smiles "CCOC(=O)Cl" ;
dbp:inchikey "RIFGWPKJUGCATF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000364 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yClfmt" ;
skos:prefLabel "ethyl chloorformaat"@nl .
csc:JISACBWYRJHSMG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5859 ;
dbo:casNumber "52-85-7" ;
dbo:formula "C10H16NO5PS2" ;
dbo:inchi "InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3" ;
dbo:iupacName "4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide"@en ;
dbo:pubchem "5859"^^xsd:int ;
dbo:smiles "CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC" ;
dbp:inchikey "JISACBWYRJHSMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "famfr" ;
skos:prefLabel "famfur"@nl .
csc:NOQGZXFMHARMLW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15331 ;
dbo:casNumber "1596-84-5" , "1861-26-3" , "74913-15-8" ;
dbo:formula "C6H12N2O3" ;
dbo:inchi "InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)" ;
dbo:iupacName "4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid"@en ;
dbo:pubchem "15331"^^xsd:int ;
dbo:smiles "CN(C)NC(=O)CCC(=O)O" ;
dbp:inchikey "NOQGZXFMHARMLW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000333 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "damnzde" ;
skos:prefLabel "daminozide"@nl .
csc:JZQKTMZYLHNFPL-BLHCBFLLSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5283349 ;
dbo:casNumber "30551-18-9" , "2363-88-4" , "25152-84-5" ;
dbo:formula "C10H16O" ;
dbo:inchi "InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+" ;
dbo:iupacName "['deca-2,4-dienal', '(2E,4E)-deca-2,4-dienal']"@en ;
dbo:pubchem "5283349"^^xsd:int ;
dbo:smiles "CCCCCC=CC=CC=O" ;
dbp:inchikey "JZQKTMZYLHNFPL-BLHCBFLLSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2t4tDcdeal" ;
skos:prefLabel "2-trans-4-trans-decadienal"@nl .
csc:YATIGPZCMOYEGE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37840 ;
dbo:casNumber "59764-36-2" , "37853-59-1" ;
dbo:formula "C14H8Br6O2" ;
dbo:inchi "InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2" ;
dbo:iupacName "1,3,5-tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene"@en ;
dbo:pubchem "37840"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Br)OCCOC2=C(C=C(C=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "YATIGPZCMOYEGE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "bis(tribroomfenoxy)-ethaan"@nl .
csc:RYFZYYUIAZYQLC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11666 ;
dbo:casNumber "20434-91-7" , "594-42-3" ;
dbo:formula "CCl4S" ;
dbo:inchi "InChI=1S/CCl4S/c2-1(3,4)6-5" ;
dbo:iupacName "trichloromethyl thiohypochlorite"@en ;
dbo:pubchem "11666"^^xsd:int ;
dbo:smiles "C(SCl)(Cl)(Cl)Cl" ;
dbp:inchikey "RYFZYYUIAZYQLC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "perClC1ymctn" ;
skos:prefLabel "perchloormethylmercaptan"@nl .
csc:KJTLSVCANCCWHF-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104749 ;
dbo:casNumber "13968-53-1" ;
dbo:formula "Ru" ;
dbo:inchi "InChI=1S/Ru/i1+2" ;
dbo:iupacName "ruthenium-103"@en ;
dbo:pubchem "104749"^^xsd:int ;
dbo:smiles "[Ru]" ;
dbp:inchikey "KJTLSVCANCCWHF-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ru103" ;
skos:prefLabel "ruthenium 103"@nl .
csc:IYZWUWBAFUBNCH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36342 ;
dbo:casNumber "33146-45-1" ;
dbo:formula "C12H8Cl2" ;
dbo:inchi "InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H" ;
dbo:iupacName "1,3-dichloro-2-phenylbenzene"@en ;
dbo:pubchem "36342"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=C(C=CC=C2Cl)Cl" ;
dbp:inchikey "IYZWUWBAFUBNCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB10" ;
skos:prefLabel "2,6-dichloorbifenyl"@nl .
csc:XGCHAIDDPMFRLJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13618 ;
dbo:casNumber "933-75-5" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H" ;
dbo:iupacName "2,3,6-TRICHLOROPHENOL"@en ;
dbo:pubchem "13618"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)O)Cl)Cl" ;
dbp:inchikey "XGCHAIDDPMFRLJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002771 ;
skos:exactMatch wise:CAS_933-75-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "236TClFol" ;
skos:prefLabel "2,3,6-trichloorfenol"@nl ;
vcs:vmmParameterId "340"^^xsd:int .
csc:SUJUOAZFECLBOA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12411 ;
dbo:casNumber "630-05-7" ;
dbo:formula "C33H68" ;
dbo:inchi "InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3" ;
dbo:iupacName "Tritriacontane"@en ;
dbo:pubchem "12411"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "SUJUOAZFECLBOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C33a" ;
skos:prefLabel "tritriacontaan"@nl .
csc:MTBYTWZDRVOMBR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13428 ;
dbo:casNumber "879-39-0" ;
dbo:formula "C6HCl4NO2" ;
dbo:inchi "InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H" ;
dbo:iupacName "1,2,3,4-Tetrachloro-5-nitrobenzene"@en ;
dbo:pubchem "13428"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "MTBYTWZDRVOMBR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2,3,4,5-tetrachloornitrobenzeen"@nl .
csc:ZKHQWZAMYRWXGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:238 ;
dbo:casNumber "56-65-5" ;
dbo:formula "C10H16N5O13P3" ;
dbo:inchi "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)" ;
dbo:iupacName "[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"@en ;
dbo:pubchem "238"^^xsd:int ;
dbo:smiles "C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N" ;
dbp:inchikey "ZKHQWZAMYRWXGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ATP" ;
skos:prefLabel "adenosine-trifosfaat"@nl .
csc:WCLNVRQZUKYVAI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:37270 ;
dbo:casNumber "35822-46-9" ;
dbo:formula "C12HCl7O2" ;
dbo:inchi "InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H" ;
dbo:iupacName "1,2,3,4,6,7,8-heptachlorooxanthrene"@en ;
dbo:pubchem "37270"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "WCLNVRQZUKYVAI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,4,6,7,8-heptachloordibenzodioxine"@nl , "1,2,3,4,6,7,8-heptachloordibenzo-p-dioxine"@nl , " 1,2,3,4,6,7,8-heptachloordibenzodioxine"@nl , "1,2,3,4,6,7,8-heptachloordibenzodioxine (hpcdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_35822-46-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD73" ;
skos:prefLabel "1,2,3,4,6,7,8-heptachloordibenzo-para-dioxine"@nl ;
vcs:vmmParameterId "1251"^^xsd:int .
csc:VBLXCTYLWZJBKA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6922 ;
dbo:casNumber "88-17-5" ;
dbo:formula "C7H6F3N" ;
dbo:inchi "InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2" ;
dbo:iupacName "2-(Trifluoromethyl)aniline"@en ;
dbo:pubchem "6922"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(F)(F)F)N" ;
dbp:inchikey "VBLXCTYLWZJBKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2TFC1yAn" ;
skos:prefLabel "2-trifluormethylaniline"@nl .
csc:SLXKOJJOQWFEFD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:564 ;
dbo:casNumber "87867-96-7" , "93208-38-9" , "60-32-2" , "1319-82-0" ;
dbo:formula "C6H13NO2" ;
dbo:inchi "InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)" ;
dbo:iupacName "6-aminohexanoic acid"@en ;
dbo:pubchem "564"^^xsd:int ;
dbo:smiles "C(CCC(=O)O)CCN" ;
dbp:inchikey "SLXKOJJOQWFEFD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6AoC6azr" ;
skos:prefLabel "6-aminohexaanzuur"@nl .
csc:YWKJNRNSJKEFMK-KJXIDEHUSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9571084 ;
dbo:casNumber "84957-30-2" ;
dbo:formula "C23H24N6O5S2" ;
dbo:inchi "InChI=1S/C23H24N6O5S2/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33)/b27-16+/t17-,21-/m1/s1" ;
dbo:iupacName "(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "9571084"^^xsd:int ;
dbo:smiles "CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCCC5)C(=O)[O-]" ;
dbp:inchikey "YWKJNRNSJKEFMK-KJXIDEHUSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cefquinome"@nl .
csc:MCCACAIVAXEFAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:68553 ;
dbo:casNumber "22832-87-7" , "75319-48-1" ;
dbo:formula "C18H15Cl4N3O4" ;
dbo:inchi "InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid"@en ;
dbo:pubchem "68553"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-]" ;
dbp:inchikey "MCCACAIVAXEFAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002542 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "micnzNO3" ;
skos:prefLabel "miconazolnitraat"@nl .
csc:WZHHYIOUKQNLQM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12442 ;
dbo:casNumber "632-58-6" , "110471-67-5" ;
dbo:formula "C8H2Cl4O4" ;
dbo:inchi "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)" ;
dbo:iupacName "3,4,5,6-tetrachlorophthalic acid"@en ;
dbo:pubchem "12442"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O" ;
dbp:inchikey "WZHHYIOUKQNLQM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tT4ClFtzr" ;
skos:prefLabel "tetrachloorftaalzuur"@nl .
csc:FYFDQJRXFWGIBS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7492 ;
dbo:casNumber "100-25-4" ;
dbo:formula "C6H4N2O4" ;
dbo:inchi "InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H" ;
dbo:iupacName "1,4-Dinitrobenzene"@en ;
dbo:pubchem "7492"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "FYFDQJRXFWGIBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DNO2Ben" ;
skos:prefLabel "1,4-dinitrobenzeen"@nl .
csc:LJBNHONKIDIOPD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:187696 ;
dbo:casNumber "89197-69-3" ;
dbo:formula "C12H27O5P" ;
dbo:inchi "InChI=1S/C12H27O5P/c1-4-6-9-15-18(14,16-10-7-5-2)17-11-8-12(3)13/h12-13H,4-11H2,1-3H3" ;
dbo:iupacName "dibutyl 3-hydroxybutyl phosphate"@en ;
dbo:pubchem "187696"^^xsd:int ;
dbo:smiles "CCCCOP(=O)(OCCCC)OCCC(C)O" ;
dbp:inchikey "LJBNHONKIDIOPD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4y3OHC4yPO" ;
skos:prefLabel "dibutyl-3-hydroxybutylfosfaat"@nl .
csc:BTGRAWJCKBQKAO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8128 ;
dbo:casNumber "111-69-3" , "68411-90-5" , "68511-79-5" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2" ;
dbo:iupacName "Hexanedinitrile"@en ;
dbo:pubchem "8128"^^xsd:int ;
dbo:smiles "C(CCC#N)CC#N" ;
dbp:inchikey "BTGRAWJCKBQKAO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "adpntl" ;
skos:prefLabel "adiponitril"@nl .
csc:JVSWJIKNEAIKJW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11594 ;
dbo:casNumber "28777-67-5" , "26635-64-3" , "11070-05-6" , "1281-99-8" , "592-27-8" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3" ;
dbo:iupacName "2-Methylheptane"@en ;
dbo:pubchem "11594"^^xsd:int ;
dbo:smiles "CCCCCC(C)C" ;
dbp:inchikey "JVSWJIKNEAIKJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC7a" ;
skos:prefLabel "2-methylheptaan"@nl .
csc:WUAPFZMCVAUBPE-IGMARMGPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:161105 ;
dbo:casNumber "14998-63-1" ;
dbo:formula "Re" ;
dbo:inchi "InChI=1S/Re/i1+0" ;
dbo:iupacName "rhenium-186"@en ;
dbo:pubchem "161105"^^xsd:int ;
dbo:smiles "[Re]" ;
dbp:inchikey "WUAPFZMCVAUBPE-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Re186" ;
skos:prefLabel "rhenium 186"@nl .
csc:DVWSXZIHSUZZKJ-YSTUJMKBSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5319706 ;
dbo:casNumber "301-00-8" ;
dbo:formula "C19H32O2" ;
dbo:inchi "InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-" ;
dbo:iupacName "methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate"@en ;
dbo:pubchem "5319706"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCCCCCCCC(=O)OC" ;
dbp:inchikey "DVWSXZIHSUZZKJ-YSTUJMKBSA-N" ;
skos:broader csc:CHEMONTID_0000504 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cC18aTzrC1yE" ;
skos:prefLabel "cis-9,12,15-octadecatrieenzuur methylester"@nl .
csc:UXVMQQNJUSDDNG-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24854 ;
dbo:casNumber "10043-52-4" , "14639-81-7" , "139468-93-2" ;
dbo:formula "CaCl2" ;
dbo:inchi "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2" ;
dbo:iupacName "Calcium dichloride"@en ;
dbo:pubchem "24854"^^xsd:int ;
dbo:smiles "[Cl-].[Cl-].[Ca+2]" ;
dbp:inchikey "UXVMQQNJUSDDNG-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000568 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaCl2" ;
skos:prefLabel "calciumchloride"@nl .
csc:RUFPHBVGCFYCNW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8640 ;
dbo:casNumber "25168-10-9" , "12262-09-8" , "134-32-7" ;
dbo:formula "C10H9N" ;
dbo:inchi "InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2" ;
dbo:iupacName "naphthalen-1-amine"@en ;
dbo:pubchem "8640"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2N" ;
dbp:inchikey "RUFPHBVGCFYCNW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoNaf" ;
skos:prefLabel "1-aminonaftaleen"@nl .
csc:NTAHCMPOMKHKEU-AATRIKPKSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3034435 ;
dbo:casNumber "62610-77-9" , "30864-28-9" ;
dbo:formula "C7H13O5PS" ;
dbo:inchi "InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+" ;
dbo:iupacName "['methyl 3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate', 'methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate']"@en ;
dbo:pubchem "3034435"^^xsd:int ;
dbo:smiles "CC(=COP(=S)(OC)OC)C(=O)OC" ;
dbp:inchikey "NTAHCMPOMKHKEU-AATRIKPKSA-N" ;
skos:altLabel "trans-methacrifos"@nl ;
skos:broader csc:CHEMONTID_0003384 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tmethcfs" , "methcfs" ;
skos:prefLabel "methacrifos"@nl .
csc:XPFVYQJUAUNWIW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 "@nl ;
rdfs:seeAlso compound:7361 ;
dbo:casNumber "88161-36-8" , "25212-86-6" , "93793-62-5" , "98-00-0" ;
dbo:formula "C5H6O2" ;
dbo:inchi "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" ;
dbo:iupacName "furan-2-ylmethanol"@en ;
dbo:pubchem "7361"^^xsd:int ;
dbo:smiles "C1=COC(=C1)CO" ;
dbp:inchikey "XPFVYQJUAUNWIW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_009 ;
skos:altLabel "2-furaanmethanol"@nl , "furfurylalcohol"@nl ;
skos:broader csc:CHEMONTID_0004144 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2furC1ol" ;
skos:prefLabel "furfurylalcohol "@nl .
csc:HZAXFHJVJLSVMW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:700 ;
dbo:casNumber "141-43-5" , "9007-33-4" ;
dbo:formula "C2H7NO" ;
dbo:inchi "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" ;
dbo:iupacName "2-aminoethanol"@en ;
dbo:pubchem "700"^^xsd:int ;
dbo:smiles "C(CO)N" ;
dbp:inchikey "HZAXFHJVJLSVMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001897 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC2olAe" ;
skos:prefLabel "monoethanolamine"@nl .
csc:REYZXWIIUPKFTI-RXMQYKEDSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7577875 ;
dbo:casNumber "1438-14-8" ;
dbo:formula "C5H10O" ;
dbo:inchi "InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1" ;
dbo:iupacName "(2S)-2-propan-2-yloxirane"@en ;
dbo:pubchem "7577875"^^xsd:int ;
dbo:smiles "CC(C)C1CO1" ;
dbp:inchikey "REYZXWIIUPKFTI-RXMQYKEDSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12epOx3C1yC4" ;
skos:prefLabel "1,2-epoxy-3-methylbutaan"@nl .
csc:PYUSJFJVDVSXIU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:51720 ;
dbo:casNumber "72918-21-9" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H" ;
dbo:iupacName "1,2,3,7,8,9-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "51720"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(C(=C(C=C3O2)Cl)Cl)Cl" ;
dbp:inchikey "PYUSJFJVDVSXIU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,7,8,9-hexachloordibenzofuraan (hxcdf)"@nl , " 1,2,3,7,8,9-hexachloordibenzofuraan"@nl , "1,2,3,7,8,9-hexachloordibenzofuraan"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_72918-21-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF124" ;
skos:prefLabel "1,2,3,7,8,9-hexachloordibenzofuran"@nl ;
vcs:vmmParameterId "1242"^^xsd:int .
csc:QJAIOCKFIORVFU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7491 ;
dbo:casNumber "508191-95-5" , "100-23-2" ;
dbo:formula "C8H10N2O2" ;
dbo:inchi "InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3" ;
dbo:iupacName "N,N-Dimethyl-4-nitroaniline"@en ;
dbo:pubchem "7491"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "QJAIOCKFIORVFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2DC1yAn" ;
skos:prefLabel "4-nitrodimethylaniline"@nl .
csc:CDNNKGWZSNSADW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:519601 ;
dbo:casNumber "18772-36-6" ;
dbo:formula "C20H60O10Si10" ;
dbo:inchi "InChI=1S/C20H60O10Si10/c1-31(2)21-32(3,4)23-34(7,8)25-36(11,12)27-38(15,16)29-40(19,20)30-39(17,18)28-37(13,14)26-35(9,10)24-33(5,6)22-31/h1-20H3" ;
dbo:iupacName "2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20-icosamethyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane"@en ;
dbo:pubchem "519601"^^xsd:int ;
dbo:smiles "C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C" ;
dbp:inchikey "CDNNKGWZSNSADW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004445 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C20aC1yccDcs" ;
skos:prefLabel "eicosamethylcyclodecasiloxaan"@nl .
csc:XLLIQLLCWZCATF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8054 ;
dbo:casNumber "32718-56-2" , "110-49-6" ;
dbo:formula "C5H10O3" ;
dbo:inchi "InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3" ;
dbo:iupacName "2-Methoxyethyl acetate"@en ;
dbo:pubchem "8054"^^xsd:int ;
dbo:smiles "CC(=O)OCCOC" ;
dbp:inchikey "XLLIQLLCWZCATF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1oxC2yactt" ;
skos:prefLabel "2-methoxyethylacetaat"@nl .
csc:XMQFTWRPUQYINF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:54960 ;
dbo:casNumber "83055-99-6" , "104466-83-3" ;
dbo:formula "C16H18N4O7S" ;
dbo:inchi "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" ;
dbo:iupacName "methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate"@en ;
dbo:pubchem "54960"^^xsd:int ;
dbo:smiles "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" ;
dbp:inchikey "XMQFTWRPUQYINF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bensfrnC1y" ;
skos:prefLabel "bensulfuron-methyl"@nl .
csc:KZUNJOHGWZRPMI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23951 ;
dbo:casNumber "110123-52-9" , "7440-19-9" ;
dbo:formula "Sm" ;
dbo:inchi "InChI=1S/Sm" ;
dbo:iupacName "SAMARIUM"@en ;
dbo:pubchem "23951"^^xsd:int ;
dbo:smiles "[Sm]" ;
dbp:inchikey "KZUNJOHGWZRPMI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sm" ;
skos:prefLabel "samarium"@nl .
csc:SESFRYSPDFLNCH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2345 ;
dbo:casNumber "120-51-4" ;
dbo:formula "C14H12O2" ;
dbo:inchi "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" ;
dbo:iupacName "Phenylmethyl benzoate"@en ;
dbo:pubchem "2345"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2" ;
dbp:inchikey "SESFRYSPDFLNCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzbzat" ;
skos:prefLabel "benzylbenzoaat"@nl .
csc:RJKFOVLPORLFTN-LEKSSAKUSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5994 ;
dbo:casNumber "8012-32-6" , "753497-20-0" , "257630-50-5" , "8023-13-0" , "57-83-0" ;
dbo:formula "C21H30O2" ;
dbo:inchi "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "5994"^^xsd:int ;
dbo:smiles "CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C" ;
dbp:inchikey "RJKFOVLPORLFTN-LEKSSAKUSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "progtrn" ;
skos:prefLabel "progesteron"@nl .
csc:LQERIDTXQFOHKA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12401 ;
dbo:casNumber "629-92-5" ;
dbo:formula "C19H40" ;
dbo:inchi "InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3" ;
dbo:iupacName "NONADECANE"@en ;
dbo:pubchem "12401"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "LQERIDTXQFOHKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C19a" ;
skos:prefLabel "nonadecaan"@nl .
csc:GBXSMTUPTTWBMN-XIRDDKMYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5388962 ;
dbo:casNumber "75847-73-3" ;
dbo:formula "C20H28N2O5" ;
dbo:inchi "InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1" ;
dbo:iupacName "(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid"@en ;
dbo:pubchem "5388962"^^xsd:int ;
dbo:smiles "CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O" ;
dbp:inchikey "GBXSMTUPTTWBMN-XIRDDKMYSA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "enlpl" ;
skos:prefLabel "enalapril"@nl .
csc:WSJBSKRPKADYRQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:72666 ;
dbo:casNumber "1672-58-8" ;
dbo:formula "C12H13N3O2" ;
dbo:inchi "InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)" ;
dbo:iupacName "N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamide"@en ;
dbo:pubchem "72666"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O" ;
dbp:inchikey "WSJBSKRPKADYRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4formAoatprn" ;
skos:prefLabel "4-formylaminoantipyrine"@nl .
csc:YXFVVABEGXRONW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:1140 ;
dbo:casNumber "108-88-3" , "50643-04-4" , "3101-08-4" ;
dbo:formula "C7H8" ;
dbo:inchi "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" ;
dbo:iupacName "methylbenzene"@en ;
dbo:pubchem "1140"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1" ;
dbp:inchikey "YXFVVABEGXRONW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_001 , co:CMA_2_III_A ;
skos:broader csc:CHEMONTID_0001091 ;
skos:exactMatch wise:CAS_108-88-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tol" ;
skos:prefLabel "tolueen"@nl ;
vcs:vmmParameterId "223"^^xsd:int .
csc:VQTVFIMEENGCJA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:137735 ;
dbo:casNumber "2820-37-3" ;
dbo:formula "C5H8N2" ;
dbo:inchi "InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7)" ;
dbo:iupacName "3,4-dimethyl-2H-pyrazole"@en ;
dbo:pubchem "137735"^^xsd:int ;
dbo:smiles "CC1=C(NN=C1)C" ;
dbp:inchikey "VQTVFIMEENGCJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000087 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yprzl" ;
skos:prefLabel "3,4-dimethylpyrazol"@nl .
csc:XEFQLINVKFYRCS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5564 ;
dbo:casNumber "88032-08-0" , "112099-35-1" , "3380-34-5" ;
dbo:formula "C12H7Cl3O2" ;
dbo:inchi "InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H" ;
dbo:iupacName "5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL"@en ;
dbo:pubchem "5564"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "XEFQLINVKFYRCS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tcsn" ;
skos:prefLabel "triclosan"@nl .
csc:UIHCLUNTQKBZGK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11262 ;
dbo:casNumber "565-61-7" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3" ;
dbo:iupacName "3-METHYLPENTAN-2-ONE"@en ;
dbo:pubchem "11262"^^xsd:int ;
dbo:smiles "CCC(C)C(=O)C" ;
dbp:inchikey "UIHCLUNTQKBZGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1y2C5on" ;
skos:prefLabel "3-methyl-2-pentanon"@nl .
csc:QAPVYZRWKDXNDK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7569 ;
dbo:casNumber "1336-54-5" , "101-67-7" , "26603-23-6" ;
dbo:formula "C28H43N" ;
dbo:inchi "InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3" ;
dbo:iupacName "4-Octyl-N-(4-octylphenyl)aniline"@en ;
dbo:pubchem "7569"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=CC=C(C=C1)NC2=CC=C(C=C2)CCCCCCCC" ;
dbp:inchikey "QAPVYZRWKDXNDK-UHFFFAOYSA-N" ;
skos:altLabel "4-octyl-n-(4-octylfenyl)-benzeenamine"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C8yN4C8yFyB" ;
skos:prefLabel "4-octyl-N-(4-octylfenyl)-benzeenamine"@nl .
csc:JOXIMZWYDAKGHI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6101 ;
dbo:casNumber "104-15-4" , "126033-27-0" , "144647-92-7" , "128739-80-0" , "114213-96-6" , "25231-46-3" , "156627-46-2" , "100901-72-2" , "402-47-1" , "210357-81-6" ;
dbo:formula "C7H8O3S" ;
dbo:inchi "InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)" ;
dbo:iupacName "4-Methylbenzenesulfonic acid"@en ;
dbo:pubchem "6101"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)O" ;
dbp:inchikey "JOXIMZWYDAKGHI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003278 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pTolsfzr" ;
skos:prefLabel "p-tolueensulfonzuur"@nl .
csc:PFRYFZZSECNQOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7340 ;
dbo:casNumber "97-56-3" , "41576-40-3" , "28676-13-3" ;
dbo:formula "C14H15N3" ;
dbo:inchi "InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3" ;
dbo:iupacName "2-methyl-4-(2-methylphenyl)diazenylaniline"@en ;
dbo:pubchem "7340"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C" ;
dbp:inchikey "PFRYFZZSECNQOL-UHFFFAOYSA-N" ;
skos:altLabel "c.i. solvent yellow 3"@nl ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cisyw3" ;
skos:prefLabel "C.I. Solvent Yellow 3"@nl .
csc:YZIYKJHYYHPJIB-UUPCJSQJSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:29089 ;
dbo:casNumber "14007-07-9" , "18472-51-0" , "12068-31-4" , "124973-71-3" , "151498-43-0" , "40330-16-3" , "60404-86-6" , "60042-57-1" , "51365-13-0" , "82432-16-4" , "105791-72-8" , "52387-19-6" , "150621-85-5" , "23289-58-9" , "52196-45-9" , "21293-24-3" ;
dbo:formula "C34H54Cl2N10O14" ;
dbo:inchi "InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1" ;
dbo:iupacName "(1E)-2-[6-[[amino-[[amino-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[amino-[(4-chlorophenyl)amino]methylidene]guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid"@en ;
dbo:pubchem "29089"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.C(C(C(C(C(C(=O)O)O)O)O)O)O.C(C(C(C(C(C(=O)O)O)O)O)O)O" ;
dbp:inchikey "YZIYKJHYYHPJIB-UUPCJSQJSA-N" ;
skos:broader csc:CHEMONTID_0000215 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clhxdngcnt" ;
skos:prefLabel "chloorhexidinegluconaat"@nl .
csc:HRYZWHHZPQKTII-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6337 ;
dbo:casNumber "68411-72-3" , "16520-13-1" , "68583-57-3" , "75-00-3" , "68909-11-5" ;
dbo:formula "C2H5Cl" ;
dbo:inchi "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" ;
dbo:iupacName "Chloroethane"@en ;
dbo:pubchem "6337"^^xsd:int ;
dbo:smiles "CCCl" ;
dbp:inchikey "HRYZWHHZPQKTII-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClC2a" ;
skos:prefLabel "chloorethaan"@nl .
csc:PWVKJRSRVJTHTR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23971 ;
dbo:casNumber "7440-40-6" ;
dbo:formula "Bk" ;
dbo:inchi "InChI=1S/Bk" ;
dbo:iupacName "BERKELIUM"@en ;
dbo:pubchem "23971"^^xsd:int ;
dbo:smiles "[Bk]" ;
dbp:inchikey "PWVKJRSRVJTHTR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bk" ;
skos:prefLabel "berkelium"@nl .
csc:DMEDNTFWIHCBRK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8368 ;
dbo:casNumber "118-69-4" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3" ;
dbo:iupacName "1,3-dichloro-2-methylbenzene"@en ;
dbo:pubchem "8368"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1Cl)Cl" ;
dbp:inchikey "DMEDNTFWIHCBRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClTol" ;
skos:prefLabel "2,6-dichloortolueen"@nl .
csc:ULBXWWGWDPVHAO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16073 ;
dbo:casNumber "1967-16-4" ;
dbo:formula "C11H10ClNO2" ;
dbo:inchi "InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)" ;
dbo:iupacName "but-3-yn-2-yl N-(3-chlorophenyl)carbamate"@en ;
dbo:pubchem "16073"^^xsd:int ;
dbo:smiles "CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl" ;
dbp:inchikey "ULBXWWGWDPVHAO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clbfm" ;
skos:prefLabel "chloorbufam"@nl .
csc:NFMIMWNQWAWNDW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16553 ;
dbo:casNumber "2163-68-0" ;
dbo:formula "C8H15N5O" ;
dbo:inchi "InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)" ;
dbo:iupacName "4-ethylamino-6-(propan-2-ylamino)-5H-1,3,5-triazin-2-one"@en ;
dbo:pubchem "16553"^^xsd:int ;
dbo:smiles "CCNC1=NC(=O)N=C(N1)NC(C)C" ;
dbp:inchikey "NFMIMWNQWAWNDW-UHFFFAOYSA-N" ;
skos:altLabel "2-hydroxy-atrazine"@nl ;
skos:broader csc:CHEMONTID_0004105 ;
skos:exactMatch wise:CAS_2163-68-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxatzne" ;
skos:prefLabel "2-hydroxyatrazine"@nl ;
vcs:vmmParameterId "798"^^xsd:int .
csc:LQZZUXJYWNFBMV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8193 ;
dbo:casNumber "68551-07-5" , "8032-09-5" , "112-53-8" , "68855-55-0" , "8032-10-8" , "8032-08-4" , "8014-32-2" , "1322-35-6" ;
dbo:formula "C12H26O" ;
dbo:inchi "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" ;
dbo:iupacName "dodecan-1-ol"@en ;
dbo:pubchem "8193"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCO" ;
dbp:inchikey "LQZZUXJYWNFBMV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C12ol" ;
skos:prefLabel "1-dodecanol"@nl .
csc:ZCVAOQKBXKSDMS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11442 ;
dbo:casNumber "8018-12-0" , "6385-68-8" , "3972-20-1" , "18877-88-8" , "22556-34-9" , "22467-86-3" , "84030-86-4" , "25406-22-8" , "28434-00-6" , "28991-27-7" , "18793-35-6" , "584-79-2" , "25406-25-1" , "71211-88-6" , "207562-36-5" , "34624-48-1" , "24313-23-3" , "137-98-4" , "23453-08-9" , "71119-51-2" , "28057-48-9" , "20301-61-5" , "22431-63-6" , "6385-67-7" , "42534-61-2" , "25406-24-0" ;
dbo:formula "C19H26O3" ;
dbo:inchi "InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3" ;
dbo:iupacName "(2-methyl-4-oxo-3-prop-2-enyl-1-cyclopent-2-enyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "11442"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C" ;
dbp:inchikey "ZCVAOQKBXKSDMS-UHFFFAOYSA-N" ;
skos:altLabel "allethrin"@nl ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alltn" , "dtalltn" ;
skos:prefLabel "d-trans-allethrin"@nl .
csc:LCCNCVORNKJIRZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:991 ;
dbo:casNumber "110616-89-2" , "11111-91-4" , "56-38-2" , "8057-70-3" ;
dbo:formula "C10H14NO5PS" ;
dbo:inchi "InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "991"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "LCCNCVORNKJIRZ-UHFFFAOYSA-N" ;
skos:altLabel "parathion-ethyl"@nl ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_56-38-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yprton" ;
skos:prefLabel "ethylparathion"@nl ;
vcs:vmmParameterId "531"^^xsd:int .
csc:NIXOWILDQLNWCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6581 ;
dbo:casNumber "104922-39-6" , "81031-52-9" , "55927-87-2" , "101360-15-0" , "174594-09-3" , "29862-29-1" , "54990-82-8" , "59233-19-1" , "105913-47-1" , "11132-69-7" , "37241-23-9" , "51142-25-7" , "82446-45-5" , "56747-65-0" , "54578-44-8" , "39341-22-5" , "9003-03-6" , "71767-27-6" , "65742-16-7" , "125857-68-3" , "54182-57-9" , "25987-55-7" , "88650-89-9" , "71767-28-7" , "79-10-7" , "87913-02-8" , "9007-20-9" , "165724-08-3" ;
dbo:formula "C3H4O2" ;
dbo:inchi "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" ;
dbo:iupacName "prop-2-enoic acid"@en ;
dbo:pubchem "6581"^^xsd:int ;
dbo:smiles "C=CC(=O)O" ;
dbp:inchikey "NIXOWILDQLNWCW-UHFFFAOYSA-N" ;
skos:altLabel "acrylzuur"@nl , "2-propeenzuur"@nl ;
skos:broader csc:CHEMONTID_0004451 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3ezr" ;
skos:prefLabel "acrylzuur "@nl .
csc:YNPNZTXNASCQKK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:995 ;
dbo:casNumber "85-01-8" ;
dbo:formula "C14H10" ;
dbo:inchi "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" ;
dbo:iupacName "Phenanthrene"@en ;
dbo:pubchem "995"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC=CC=C32" ;
dbp:inchikey "YNPNZTXNASCQKK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0000025 ;
skos:exactMatch wise:CAS_85-01-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fen" ;
skos:prefLabel "fenantreen"@nl ;
vcs:vmmParameterId "428"^^xsd:int , "1429"^^xsd:int .
csc:HFZWRUODUSTPEG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8449 ;
dbo:casNumber "120-83-2" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" ;
dbo:iupacName "2,4-Dichlorophenol"@en ;
dbo:pubchem "8449"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)O" ;
dbp:inchikey "HFZWRUODUSTPEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_120-83-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClFol" ;
skos:prefLabel "2,4-dichloorfenol"@nl ;
vcs:vmmParameterId "346"^^xsd:int .
csc:RQNWIZPPADIBDY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'Arseen en de verbindingen daarvan, uitgedrukt als arseen (As)'"@nl , "VLAR (D2) 'arseen'"@nl , "VLAR II bijl. 4.4.2 'arseen en zijn verbindingen, uitgedrukt in As'"@nl , "VLAR II (D5) 'arseen en arseenverbindingen, uitgedrukt als arseen (As)'"@nl , "VLAR III (D3) 'AsH3'"@nl , "VLAREM II bijlage 4.4.2"@nl , "VLAR III (D3, diverse art) 'As'"@nl , "VLAR bijl. II 2.5.8 'arseen'"@nl ;
rdfs:seeAlso compound:5359596 ;
dbo:casNumber "55624-62-9" , "7440-38-2" , "7784-42-1" , "39277-51-5" ;
dbo:formula "As" ;
dbo:inchi "InChI=1S/As" ;
dbo:iupacName "Arsenic"@en ;
dbo:pubchem "5359596"^^xsd:int ;
dbo:smiles "[As]" ;
dbp:inchikey "RQNWIZPPADIBDY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "arseenwaterstof (ash3)"@nl , "arseenwaterstof (AsH3)"@nl , "arseen (as)"@nl , "arseen"@nl , "arseen, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:definition "arseen en arseenverbindingen, uitgedrukt als arseen (As)"@nl ;
skos:exactMatch wise:CAS_7440-38-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "As" ;
skos:prefLabel "Arseen (As)"@nl ;
vcs:vmmParameterId "136"^^xsd:int , "1919"^^xsd:int , "135"^^xsd:int , "1987"^^xsd:int , "137"^^xsd:int .
csc:CHHCCYVOJBBCIY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23285 ;
dbo:casNumber "6848-13-1" ;
dbo:formula "C8H10ClN" ;
dbo:inchi "InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3" ;
dbo:iupacName "3-Chloro-N,N-dimethylaniline"@en ;
dbo:pubchem "23285"^^xsd:int ;
dbo:smiles "CN(C)C1=CC(=CC=C1)Cl" ;
dbp:inchikey "CHHCCYVOJBBCIY-UHFFFAOYSA-N" ;
skos:altLabel "3-chloor-N,N-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClNNDC1yAn" ;
skos:prefLabel "3-chloor-n,n-dimethylaniline"@nl .
csc:SBZXBUIDTXKZTM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8150 ;
dbo:casNumber "111-96-6" , "142939-39-7" , "70992-86-8" , "54631-70-8" ;
dbo:formula "C6H14O3" ;
dbo:inchi "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" ;
dbo:iupacName "1-METHOXY-2-(2-METHOXYETHOXY)ETHANE"@en ;
dbo:pubchem "8150"^^xsd:int ;
dbo:smiles "COCCOCCOC" ;
dbp:inchikey "SBZXBUIDTXKZTM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis2C1oxC2yE" ;
skos:prefLabel "bis(2-methoxyethyl)ether"@nl .
csc:DGBIGWXXNGSACT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2802 ;
dbo:casNumber "106955-87-7" , "1622-61-3" ;
dbo:formula "C15H10ClN3O3" ;
dbo:inchi "InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)" ;
dbo:iupacName "5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "2802"^^xsd:int ;
dbo:smiles "C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl" ;
dbp:inchikey "DGBIGWXXNGSACT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clonzpm" ;
skos:prefLabel "clonazepam"@nl .
csc:RLMZELPHRPTNJX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:74548 ;
dbo:casNumber "1807-29-0" ;
dbo:formula "C22H38O" ;
dbo:inchi "InChI=1S/C22H38O/c1-3-5-7-9-11-13-15-20-17-18-22(23)21(19-20)16-14-12-10-8-6-4-2/h17-19,23H,3-16H2,1-2H3" ;
dbo:iupacName "2,4-Dioctylphenol"@en ;
dbo:pubchem "74548"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=CC(=C(C=C1)O)CCCCCCCC" ;
dbp:inchikey "RLMZELPHRPTNJX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004646 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC8yFol" ;
skos:prefLabel "2,4-dioctylfenol"@nl .
csc:HXGDTGSAIMULJN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9161 ;
dbo:casNumber "208-96-8" , "34493-60-2" ;
dbo:formula "C12H8" ;
dbo:inchi "InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H" ;
dbo:iupacName "Acenaphthylene"@en ;
dbo:pubchem "9161"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=CC3=CC=C2" ;
dbp:inchikey "HXGDTGSAIMULJN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 , co:WAC_IV_A_002 ;
skos:broader csc:CHEMONTID_0004812 ;
skos:exactMatch wise:CAS_208-96-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AcNy" ;
skos:prefLabel "acenaftyleen"@nl ;
vcs:vmmParameterId "511"^^xsd:int , "1420"^^xsd:int .
csc:TYIYMOAHACZAMQ-CQSZACIVSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:180089 ;
dbo:casNumber "122008-85-9" ;
dbo:formula "C20H20FNO4" ;
dbo:inchi "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" ;
dbo:iupacName "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate"@en ;
dbo:pubchem "180089"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" ;
dbp:inchikey "TYIYMOAHACZAMQ-CQSZACIVSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyhlfC4y" ;
skos:prefLabel "cyhalofop-butyl"@nl .
csc:VGKDLMBJGBXTGI-SJCJKPOMSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:68617 ;
dbo:casNumber "79617-96-2" ;
dbo:formula "C17H17Cl2N" ;
dbo:inchi "InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1" ;
dbo:iupacName "(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine"@en ;
dbo:pubchem "68617"^^xsd:int ;
dbo:smiles "CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl" ;
dbp:inchikey "VGKDLMBJGBXTGI-SJCJKPOMSA-N" ;
skos:broader csc:CHEMONTID_0000049 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sertlne" ;
skos:prefLabel "sertraline"@nl .
csc:UISUNVFOGSJSKD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91708 ;
dbo:casNumber "71422-67-8" ;
dbo:formula "C20H9Cl3F5N3O3" ;
dbo:inchi "InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)" ;
dbo:iupacName "N-[[3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "91708"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)F" ;
dbp:inchikey "UISUNVFOGSJSKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clfazrn" ;
skos:prefLabel "chloorfluazuron"@nl .
csc:HLBLWEWZXPIGSM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7579 ;
dbo:casNumber "101-80-4" , "121509-79-3" ;
dbo:formula "C12H12N2O" ;
dbo:inchi "InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2" ;
dbo:iupacName "4-(4-aminophenoxy)aniline"@en ;
dbo:pubchem "7579"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)OC2=CC=C(C=C2)N" ;
dbp:inchikey "HLBLWEWZXPIGSM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DAoDFyEtr" ;
skos:prefLabel "4,4'-diaminodifenylether"@nl .
csc:BSYNRYMUTXBXSQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2244 ;
dbo:casNumber "2349-94-2" , "98201-60-6" , "11126-37-7" , "26914-13-6" , "50-78-2" , "11126-35-5" ;
dbo:formula "C9H8O4" ;
dbo:inchi "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)" ;
dbo:iupacName "2-acetyloxybenzoic acid"@en ;
dbo:pubchem "2244"^^xsd:int ;
dbo:smiles "CC(=O)OC1=CC=CC=C1C(=O)O" ;
dbp:inchikey "BSYNRYMUTXBXSQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004577 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "asprne" ;
skos:prefLabel "aspirine"@nl .
csc:OWXJKYNZGFSVRC-NSCUHMNNSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5284364 ;
dbo:casNumber "36472-34-1" , "16136-85-9" ;
dbo:formula "C3H5Cl" ;
dbo:inchi "InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+" ;
dbo:iupacName "['1-chloroprop-1-ene', '(E)-1-chloroprop-1-ene']"@en ;
dbo:pubchem "5284364"^^xsd:int ;
dbo:smiles "CC=CCl" ;
dbp:inchikey "OWXJKYNZGFSVRC-NSCUHMNNSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t1Cl1C3e" ;
skos:prefLabel "trans-1-chloor-1-propeen"@nl .
csc:FNAZRRHPUDJQCJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12403 ;
dbo:casNumber "629-94-7" ;
dbo:formula "C21H44" ;
dbo:inchi "InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3" ;
dbo:iupacName "Henicosane"@en ;
dbo:pubchem "12403"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "FNAZRRHPUDJQCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C21a" ;
skos:prefLabel "heneicosaan"@nl .
csc:WTKZEGDFNFYCGP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1048 ;
dbo:casNumber "288-13-1" , "116421-36-4" , "53153-43-8" ;
dbo:formula "C3H4N2" ;
dbo:inchi "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)" ;
dbo:iupacName "1H-Pyrazole"@en ;
dbo:pubchem "1048"^^xsd:int ;
dbo:smiles "C1=CNN=C1" ;
dbp:inchikey "WTKZEGDFNFYCGP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000087 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrzl" ;
skos:prefLabel "pyrazol"@nl .
csc:IBSREHMXUMOFBB-MVGRHBATSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6435890 ;
dbo:casNumber "71751-41-2" , "86753-29-9" ;
dbo:formula "C95H142O28" ;
dbo:inchi "InChI=1S/C48H72O14.C47H70O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3;11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1" ;
dbo:iupacName "(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one"@en ;
dbo:pubchem "6435890"^^xsd:int ;
dbo:smiles "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O" ;
dbp:inchikey "IBSREHMXUMOFBB-MVGRHBATSA-N" ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "abmtne" ;
skos:prefLabel "abamectine"@nl .
csc:OKRJGUKZYSEUOY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:123480 ;
dbo:casNumber "39099-23-5" ;
dbo:formula "C7H17N" ;
dbo:inchi "InChI=1S/C7H17N/c1-4-5-6-8-7(2)3/h7-8H,4-6H2,1-3H3" ;
dbo:iupacName "N-propan-2-ylbutan-1-amine"@en ;
dbo:pubchem "123480"^^xsd:int ;
dbo:smiles "CCCCNC(C)C" ;
dbp:inchikey "OKRJGUKZYSEUOY-UHFFFAOYSA-N" ;
skos:altLabel "n-isopropylbutylamine"@nl ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NiC3yC4yAe" ;
skos:prefLabel "N-isopropylbutylamine"@nl .
csc:ZTYVMAQSHCZXLF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:101525 ;
dbo:casNumber "86209-51-0" , "179765-69-6" ;
dbo:formula "C15H12F4N4O7S" ;
dbo:inchi "InChI=1S/C15H12F4N4O7S/c1-28-11(24)7-4-2-3-5-8(7)31(26,27)23-15(25)22-14-20-9(29-12(16)17)6-10(21-14)30-13(18)19/h2-6,12-13H,1H3,(H2,20,21,22,23,25)" ;
dbo:iupacName "methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate"@en ;
dbo:pubchem "101525"^^xsd:int ;
dbo:smiles "COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC(F)F)OC(F)F" ;
dbp:inchikey "ZTYVMAQSHCZXLF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pirmsfrnC1y" ;
skos:prefLabel "pirimisulfuron-methyl"@nl .
csc:BUGYDGFZZOZRHP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4054 ;
dbo:casNumber "51052-62-1" , "19982-08-2" ;
dbo:formula "C12H21N" ;
dbo:inchi "InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3" ;
dbo:iupacName "3,5-dimethyladamantan-1-amine"@en ;
dbo:pubchem "4054"^^xsd:int ;
dbo:smiles "CC12CC3CC(C1)(CC(C3)(C2)N)C" ;
dbp:inchikey "BUGYDGFZZOZRHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "memtne" ;
skos:prefLabel "memantine"@nl .
csc:XFNJVKMNNVCYEK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6861 ;
dbo:casNumber "31093-43-3" , "86-86-2" ;
dbo:formula "C12H11NO" ;
dbo:inchi "InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" ;
dbo:iupacName "2-naphthalen-1-ylacetamide"@en ;
dbo:pubchem "6861"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2CC(=O)N" ;
dbp:inchikey "XFNJVKMNNVCYEK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "21ntacAd" ;
skos:prefLabel "2-(1-naftyl)aceetamide"@nl .
csc:PUVAFTRIIUSGLK-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18205 ;
dbo:casNumber "51838-31-4" , "3033-77-0" , "129829-22-7" , "37229-18-8" ;
dbo:formula "C6H14ClNO" ;
dbo:inchi "InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "trimethyl-(oxiran-2-ylmethyl)azanium chloride"@en ;
dbo:pubchem "18205"^^xsd:int ;
dbo:smiles "C[N+](C)(C)CC1CO1.[Cl-]" ;
dbp:inchikey "PUVAFTRIIUSGLK-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23epOxC3yTC1" ;
skos:prefLabel "2,3-epoxypropyltrimethylammoniumchloride"@nl .
csc:HLZCHRAMVPCKDU-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16119 ;
dbo:casNumber "1982-69-0" ;
dbo:formula "C8H5Cl2NaO3" ;
dbo:inchi "InChI=1S/C8H6Cl2O3.Na/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1" ;
dbo:iupacName "Sodium 3,6-dichloro-2-methoxybenzoate"@en ;
dbo:pubchem "16119"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1C(=O)[O-])Cl)Cl.[Na+]" ;
dbp:inchikey "HLZCHRAMVPCKDU-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0002345 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DcbNazt" ;
skos:prefLabel "dicamba-natriumzout"@nl .
csc:HBPDKDSFLXWOAE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5383 ;
dbo:casNumber "34014-18-1" ;
dbo:formula "C9H16N4OS" ;
dbo:inchi "InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)" ;
dbo:iupacName "1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea"@en ;
dbo:pubchem "5383"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC" ;
dbp:inchikey "HBPDKDSFLXWOAE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004668 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebturn" ;
skos:prefLabel "tebuthiuron"@nl .
csc:LEEANUDEDHYDTG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24509 ;
dbo:casNumber "7778-85-0" ;
dbo:formula "C5H12O2" ;
dbo:inchi "InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3" ;
dbo:iupacName "1,2-DIMETHOXYPROPANE"@en ;
dbo:pubchem "24509"^^xsd:int ;
dbo:smiles "CC(COC)OC" ;
dbp:inchikey "LEEANUDEDHYDTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DC1oxC3a" ;
skos:prefLabel "1,2-dimethoxypropaan"@nl .
csc:OLZQTUCTGLHFTQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:54745 ;
dbo:casNumber "81406-37-3" ;
dbo:formula "C15H21Cl2FN2O3" ;
dbo:inchi "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" ;
dbo:iupacName "octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate"@en ;
dbo:pubchem "54745"^^xsd:int ;
dbo:smiles "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" ;
dbp:inchikey "OLZQTUCTGLHFTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluOxpmtl" ;
skos:prefLabel "fluroxypyr-meptyl"@nl .
csc:OHXAOPZTJOUYKM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11241 ;
dbo:casNumber "563-47-3" ;
dbo:formula "C4H7Cl" ;
dbo:inchi "InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3" ;
dbo:iupacName "3-Chloro-2-methylprop-1-ene"@en ;
dbo:pubchem "11241"^^xsd:int ;
dbo:smiles "CC(=C)CCl" ;
dbp:inchikey "OHXAOPZTJOUYKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl2C1y1C3e" ;
skos:prefLabel "3-chloor-2-methyl-1-propeen"@nl .
csc:KFUSEUYYWQURPO-OWOJBTEDSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:638186 ;
dbo:casNumber "540-59-0" , "43695-79-0" , "156-60-5" ;
dbo:formula "C2H2Cl2" ;
dbo:inchi "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" ;
dbo:iupacName "['1,2-Dichloroethene', '(E)-1,2-Dichloroethene']"@en ;
dbo:pubchem "638186"^^xsd:int ;
dbo:smiles "C(=CCl)Cl" ;
dbp:inchikey "KFUSEUYYWQURPO-OWOJBTEDSA-N" ;
dct:isReferencedBy co:LUC_IV_011 ;
skos:altLabel "1,2-dichloorethyleen"@nl , "1,2-dichlooretheen,trans"@nl , "1,2-dichloorethyleen "@nl , "1,2-dichlooretheen, cis"@nl , "trans-1,2-dichlooretheen"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_156-60-5 , wise:CAS_540-59-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t12DClC2e" , "12DClC2e" ;
skos:prefLabel "1,2-dichlooretheen"@nl ;
vcs:vmmParameterId "320"^^xsd:int , "714"^^xsd:int .
csc:BHNQPLPANNDEGL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:94543 ;
dbo:casNumber "51437-89-9" , "26636-32-8" ;
dbo:formula "C16H26O2" ;
dbo:inchi "InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-14-13-17/h9-12,17H,2-8,13-14H2,1H3" ;
dbo:iupacName "2-(4-octylphenoxy)ethanol"@en ;
dbo:pubchem "94543"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=CC=C(C=C1)OCCO" ;
dbp:inchikey "BHNQPLPANNDEGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "octylfenolpolyethoxylaat"@nl .
csc:BVKZGUZCCUSVTD-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19660 ;
dbo:casNumber "3812-32-6" ;
dbo:formula "CO3-2" ;
dbo:inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2" ;
dbo:iupacName "carbonate"@en ;
dbo:pubchem "19660"^^xsd:int ;
dbo:smiles "C(=O)([O-])[O-]" ;
dbp:inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001521 ;
skos:exactMatch wise:CAS_3812-32-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CO3" ;
skos:prefLabel "carbonaat"@nl ;
vcs:vmmParameterId "3"^^xsd:int .
csc:PXFDQFDPXWHEEP-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13740 ;
dbo:casNumber "959-55-7" ;
dbo:formula "C17H30ClN" ;
dbo:inchi "InChI=1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dimethyl-octylazanium chloride"@en ;
dbo:pubchem "13740"^^xsd:int ;
dbo:smiles "CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "PXFDQFDPXWHEEP-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003977 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzDC1yC8yl" ;
skos:prefLabel "benzyldimethyloctylammoniumchloride"@nl .
csc:XPCLSVISJWLKJE-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:168739 ;
dbo:casNumber "27936-43-2" , "25154-52-3" ;
dbo:formula "C15H23KO" ;
dbo:inchi "InChI=1S/C15H24O.K/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1" ;
dbo:iupacName "potassium 2-nonylphenolate"@en ;
dbo:pubchem "168739"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1[O-].[K+]" ;
dbp:inchikey "XPCLSVISJWLKJE-UHFFFAOYSA-M" ;
dct:isReferencedBy co:WAC_IV_A_001 , co:WAC_IV_A_005 ;
skos:broader csc:CHEMONTID_0002536 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C9yFol" ;
skos:prefLabel "nonylfenol"@nl .
csc:QHMTXANCGGJZRX-WUXMJOGZSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9576037 ;
dbo:casNumber "123312-89-0" ;
dbo:formula "C10H11N5O" ;
dbo:inchi "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" ;
dbo:iupacName "6-methyl-4-(pyridin-3-ylmethylideneamino)-2,5-dihydro-1,2,4-triazin-3-one"@en ;
dbo:pubchem "9576037"^^xsd:int ;
dbo:smiles "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" ;
dbp:inchikey "QHMTXANCGGJZRX-WUXMJOGZSA-N" ;
skos:broader csc:CHEMONTID_0004107 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pymtzne" ;
skos:prefLabel "pymetrozine"@nl .
csc:VXNZUUAINFGPBY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7844 ;
dbo:casNumber "172345-47-0" , "25038-50-0" , "106-98-9" , "61788-35-0" , "9003-28-5" , "33004-02-3" , "25167-67-3" , "54366-07-3" , "1735-75-7" ;
dbo:formula "C4H8" ;
dbo:inchi "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" ;
dbo:iupacName "But-1-ene"@en ;
dbo:pubchem "7844"^^xsd:int ;
dbo:smiles "CCC=C" ;
dbp:inchikey "VXNZUUAINFGPBY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "polC4e" ;
skos:prefLabel "polybuteen"@nl .
csc:GUVUOGQBMYCBQP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:81646 ;
dbo:casNumber "7226-23-5" ;
dbo:formula "C6H12N2O" ;
dbo:inchi "InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3" ;
dbo:iupacName "1,3-dimethyl-1,3-diazinan-2-one"@en ;
dbo:pubchem "81646"^^xsd:int ;
dbo:smiles "CN1CCCN(C1=O)C" ;
dbp:inchikey "GUVUOGQBMYCBQP-UHFFFAOYSA-N" ;
skos:altLabel "1,3-dimethyl-3,4,5,6-tetrahydro-2(1h)-pyrimidinon"@nl ;
skos:broader csc:CHEMONTID_0000291 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DC1yT4H21H" ;
skos:prefLabel "1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinon"@nl .
csc:ASLWPAWFJZFCKF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:26177 ;
dbo:casNumber "13674-87-8" ;
dbo:formula "C9H15Cl6O4P" ;
dbo:inchi "InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2" ;
dbo:iupacName "tris(1,3-dichloropropan-2-yl) phosphate"@en ;
dbo:pubchem "26177"^^xsd:int ;
dbo:smiles "C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl" ;
dbp:inchikey "ASLWPAWFJZFCKF-UHFFFAOYSA-N" ;
skos:altLabel "tris-(1,3-dichloor-2-propyl)-fosfaat"@nl ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tris2Cl1ClC1" ;
skos:prefLabel "tris(2-chloor-1-(chloormethyl)ethyl)fosfaat"@nl .
csc:JAZJVWLGNLCNDD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:30859 ;
dbo:casNumber "21923-23-9" , "51052-59-6" ;
dbo:formula "C11H15Cl2O3PS2" ;
dbo:inchi "InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3" ;
dbo:iupacName "(2,5-dichloro-4-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "30859"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)SC)Cl" ;
dbp:inchikey "JAZJVWLGNLCNDD-UHFFFAOYSA-N" ;
skos:altLabel "chloorthiofos i"@nl ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CltofsI" ;
skos:prefLabel "chloorthiofos I"@nl .
csc:BGJSXRVXTHVRSN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8081 ;
dbo:casNumber "110-88-3" , "113783-48-5" ;
dbo:formula "C3H6O3" ;
dbo:inchi "InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2" ;
dbo:iupacName "1,3,5-Trioxane"@en ;
dbo:pubchem "8081"^^xsd:int ;
dbo:smiles "C1OCOCO1" ;
dbp:inchikey "BGJSXRVXTHVRSN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001853 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TOxC1ye" ;
skos:prefLabel "trioxymethyleen"@nl .
csc:RIIWUGSYXOBDMC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11990 ;
dbo:casNumber "615-28-1" ;
dbo:formula "C6H10Cl2N2" ;
dbo:inchi "InChI=1S/C6H8N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;2*1H" ;
dbo:iupacName "benzene-1,2-diamine dihydrochloride"@en ;
dbo:pubchem "11990"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)N)N.Cl.Cl" ;
dbp:inchikey "RIIWUGSYXOBDMC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12BenDAeDHCl" ;
skos:prefLabel "1,2-benzeendiamine dihydrochloride"@nl .
csc:KKWHDMUCBWSKGL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2733946 ;
dbo:casNumber "79415-41-1" ;
dbo:formula "C7H3Br5O" ;
dbo:inchi "InChI=1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2" ;
dbo:iupacName "(2,3,4,5,6-pentabromophenyl)methanol"@en ;
dbo:pubchem "2733946"^^xsd:int ;
dbo:smiles "C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O" ;
dbp:inchikey "KKWHDMUCBWSKGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000033 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "pentabroombenzylalcohol"@nl .
csc:UZCGKGPEKUCDTF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91731 ;
dbo:casNumber "79622-59-6" , "113015-31-9" ;
dbo:formula "C13H4Cl2F6N4O4" ;
dbo:inchi "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" ;
dbo:iupacName "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine"@en ;
dbo:pubchem "91731"^^xsd:int ;
dbo:smiles "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" ;
dbp:inchikey "UZCGKGPEKUCDTF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluaznm" ;
skos:prefLabel "fluazinam"@nl .
csc:OOBSUSUFVSSVFU-GQCTYLIASA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6437490 ;
dbo:casNumber "68155-39-5" ;
dbo:formula "C18H37NO" ;
dbo:inchi "InChI=1S/C18H37NO/c1-2-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h4,6H,2-3,5,7-19H2,1H3/b6-4+" ;
dbo:iupacName "(E)-16-ethoxyhexadec-9-en-1-amine"@en ;
dbo:pubchem "6437490"^^xsd:int ;
dbo:smiles "CCOCCCCCCC=CCCCCCCCCN" ;
dbp:inchikey "OOBSUSUFVSSVFU-GQCTYLIASA-N" ;
skos:altLabel "c14-c18 en c16-c18 onverzadigd alkylamine-ethoxylaat"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C14C18C16C18" ;
skos:prefLabel "C14-C18 en C16-C18 onverzadigd alkylamine-ethoxylaat"@nl .
csc:SYQBFIAQOQZEGI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23937 ;
dbo:casNumber "7440-04-2" ;
dbo:formula "Os" ;
dbo:inchi "InChI=1S/Os" ;
dbo:iupacName "OSMIUM"@en ;
dbo:pubchem "23937"^^xsd:int ;
dbo:smiles "[Os]" ;
dbp:inchikey "SYQBFIAQOQZEGI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Os" ;
skos:prefLabel "osmium"@nl .
csc:DDMOUSALMHHKOS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6429 ;
dbo:casNumber "1320-37-2" , "76-14-2" ;
dbo:formula "C2Cl2F4" ;
dbo:inchi "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" ;
dbo:iupacName "1,2-Dichloro-1,1,2,2-tetrafluoroethane"@en ;
dbo:pubchem "6429"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(F)(F)Cl" ;
dbp:inchikey "DDMOUSALMHHKOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK114" ;
skos:prefLabel "1,2-dichloortetrafluorethaan"@nl .
csc:DJDSLBVSSOQSLW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20393 ;
dbo:casNumber "4376-20-9" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)" ;
dbo:iupacName "2-(2-ethylhexoxycarbonyl)benzoic acid"@en ;
dbo:pubchem "20393"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O" ;
dbp:inchikey "DJDSLBVSSOQSLW-UHFFFAOYSA-N" ;
skos:altLabel "monoethylhexylftalaat (mehp)"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MEHP" ;
skos:prefLabel "monoethylhexylftalaat (MEHP)"@nl .
csc:DTOSIQBPPRVQHS-IUQGRGSQSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5282822 ;
dbo:casNumber "1955-33-5" , "85392-75-2" , "463-40-1" , "28290-79-1" ;
dbo:formula "C18H30O2" ;
dbo:inchi "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+" ;
dbo:iupacName "['Octadeca-9,12,15-trienoic acid', '(9E,12E,15E)-octadeca-9,12,15-trienoic acid']"@en ;
dbo:pubchem "5282822"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCCCCCCCC(=O)O" ;
dbp:inchikey "DTOSIQBPPRVQHS-IUQGRGSQSA-N" ;
skos:broader csc:CHEMONTID_0000504 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alnlzr" ;
skos:prefLabel "alfa-linoleenzuur"@nl .
csc:ACGUYXCXAPNIKK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3598 ;
dbo:casNumber "8054-98-6" , "139411-96-4" , "70-30-4" ;
dbo:formula "C13H6Cl6O2" ;
dbo:inchi "InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2" ;
dbo:iupacName "3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol"@en ;
dbo:pubchem "3598"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl" ;
dbp:inchikey "ACGUYXCXAPNIKK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxClfn" ;
skos:prefLabel "hexachloorfeen"@nl .
csc:KIWUVOGUEXMXSV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8860 ;
dbo:casNumber "38895-62-4" , "6913-23-1" , "141-84-4" ;
dbo:formula "C3H3NOS2" ;
dbo:inchi "InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)" ;
dbo:iupacName "2-sulfanylidene-1,3-thiazolidin-4-one"@en ;
dbo:pubchem "8860"^^xsd:int ;
dbo:smiles "C1C(=O)N=C(S1)S" ;
dbp:inchikey "KIWUVOGUEXMXSV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001923 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rhodnne" ;
skos:prefLabel "rhodanine"@nl .
csc:FUNUTBJJKQIVSY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7254 ;
dbo:casNumber "95-73-8" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3" ;
dbo:iupacName "2,4-Dichloro-1-methylbenzene"@en ;
dbo:pubchem "7254"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "FUNUTBJJKQIVSY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClTol" ;
skos:prefLabel "2,4-dichloortolueen"@nl .
csc:QIQXTHQIDYTFRH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5281 ;
dbo:casNumber "8039-52-9" , "82497-27-6" , "134503-33-6" , "8039-53-0" , "8039-51-8" , "57-11-4" , "8037-40-9" , "30399-84-9" , "68937-76-8" , "57485-56-0" , "8037-83-0" , "8023-06-1" , "8039-54-1" , "8013-28-3" , "39390-61-9" , "58392-66-8" , "126539-56-8" , "609343-71-7" , "85404-83-7" ;
dbo:formula "C18H36O2" ;
dbo:inchi "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" ;
dbo:iupacName "Octadecanoic acid"@en ;
dbo:pubchem "5281"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "QIQXTHQIDYTFRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18azr" ;
skos:prefLabel "octadecaanzuur"@nl .
csc:ACEKLXZRZOWKRY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:75922 ;
dbo:casNumber "2706-91-4" ;
dbo:formula "C5HF11O3S" ;
dbo:inchi "InChI=1S/C5HF11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H,17,18,19)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid"@en ;
dbo:pubchem "75922"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F" ;
dbp:inchikey "ACEKLXZRZOWKRY-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-pentaansulfonzuur"@nl , "perfluor-1-pentaansulfonzuur"@nl , "perfluor-n-pentaansulfonzuur (pfpes)"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFPeS" , "PFC5asfzr" ;
skos:prefLabel "perfluorpentaansulfonzuur (pfpes)"@nl .
csc:DEIGXXQKDWULML-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18529 ;
dbo:casNumber "3194-55-6" , "23774-70-1" ;
dbo:formula "C12H18Br6" ;
dbo:inchi "InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2" ;
dbo:iupacName "1,2,5,6,9,10-HEXABROMOCYCLODODECANE"@en ;
dbo:pubchem "18529"^^xsd:int ;
dbo:smiles "C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br" ;
dbp:inchikey "DEIGXXQKDWULML-UHFFFAOYSA-N" ;
skos:altLabel "hexabroomcyclododecaan (hbcd)"@nl , "hexabroomcyclododecaan"@nl ;
skos:broader csc:CHEMONTID_0001515 ;
skos:exactMatch wise:CAS_3194-55-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sHBCD" ;
skos:prefLabel "som 1,2,5,6,9,10-hexabroomcyclododecaan"@nl ;
vcs:vmmParameterId "939"^^xsd:int .
csc:OAICVXFJPJFONN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5462309 ;
dbo:casNumber "7723-14-0" ;
dbo:formula "P" ;
dbo:inchi "InChI=1S/P" ;
dbo:iupacName "Phosphorus"@en ;
dbo:pubchem "5462309"^^xsd:int ;
dbo:smiles "[P]" ;
dbp:inchikey "OAICVXFJPJFONN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_C_010 ;
skos:broader csc:CHEMONTID_0000434 ;
skos:exactMatch wise:CAS_7723-14-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "fosfor"@nl ;
vcs:vmmParameterId "1780"^^xsd:int , "28"^^xsd:int , "29"^^xsd:int , "30"^^xsd:int , "501"^^xsd:int , "503"^^xsd:int , "1261"^^xsd:int , "27"^^xsd:int .
csc:ZRSNZINYAWTAHE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31244 ;
dbo:casNumber "26249-15-0" , "68894-36-0" , "123-11-5" , "50984-52-6" ;
dbo:formula "C8H8O2" ;
dbo:inchi "InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3" ;
dbo:iupacName "4-Methoxybenzaldehyde"@en ;
dbo:pubchem "31244"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)C=O" ;
dbp:inchikey "ZRSNZINYAWTAHE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1oxbzAh" ;
skos:prefLabel "4-methoxybenzaldehyde"@nl .
csc:TUAMRELNJMMDMT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7948 ;
dbo:casNumber "108-68-9" , "50356-23-5" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" ;
dbo:iupacName "3,5-Dimethylphenol"@en ;
dbo:pubchem "7948"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)O)C" ;
dbp:inchikey "TUAMRELNJMMDMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001273 ;
skos:exactMatch wise:CAS_108-68-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DC1yFol" ;
skos:prefLabel "3,5-dimethylfenol"@nl ;
vcs:vmmParameterId "712"^^xsd:int .
csc:WIGIZIANZCJQQY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3476 ;
dbo:casNumber "93479-97-1" ;
dbo:formula "C24H34N4O5S" ;
dbo:inchi "InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)" ;
dbo:iupacName "3-ethyl-4-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxo-5H-pyrrole-1-carboxamide"@en ;
dbo:pubchem "3476"^^xsd:int ;
dbo:smiles "CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C" ;
dbp:inchikey "WIGIZIANZCJQQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glimprde" ;
skos:prefLabel "glimepiride"@nl .
csc:ZYHJQFMTTFCBKH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17629 ;
dbo:casNumber "2719-62-2" ;
dbo:formula "C18H30" ;
dbo:inchi "InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3" ;
dbo:iupacName "dodecan-6-ylbenzene"@en ;
dbo:pubchem "17629"^^xsd:int ;
dbo:smiles "CCCCCCC(CCCCC)C1=CC=CC=C1" ;
dbp:inchikey "ZYHJQFMTTFCBKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6FyC12a" ;
skos:prefLabel "6-fenyldodecaan"@nl .
csc:LHHMNJZNWUJFOC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8296 ;
dbo:casNumber "115-98-0" , "122681-86-1" , "53569-58-7" ;
dbo:formula "C6H11Cl2O3P" ;
dbo:inchi "InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2" ;
dbo:iupacName "1-[bis(2-chloroethoxy)phosphoryl]ethene"@en ;
dbo:pubchem "8296"^^xsd:int ;
dbo:smiles "C=CP(=O)(OCCCl)OCCCl" ;
dbp:inchikey "LHHMNJZNWUJFOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003893 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis2ClC2yetn" ;
skos:prefLabel "bis(2-chloorethyl)ethenylfosfonaat"@nl .
csc:UAUDZVJPLUQNMU-KTKRTIGZSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5365371 ;
dbo:casNumber "112-84-5" , "116749-29-2" , "80399-99-1" , "93050-58-9" ;
dbo:formula "C22H43NO" ;
dbo:inchi "InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-" ;
dbo:iupacName "(Z)-Docos-13-enamide"@en ;
dbo:pubchem "5365371"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCCCCCC(=O)N" ;
dbp:inchikey "UAUDZVJPLUQNMU-KTKRTIGZSA-N" ;
skos:altLabel "cis-13-docosenamide"@nl ;
skos:broader csc:CHEMONTID_0000331 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c13C22eAd" ;
skos:prefLabel "cis-13-Docosenamide"@nl .
csc:LJYOFQHKEWTQRH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4964 ;
dbo:casNumber "2491-38-5" ;
dbo:formula "C8H7BrO2" ;
dbo:inchi "InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2" ;
dbo:iupacName "2-bromo-1-(4-hydroxyphenyl)ethanone"@en ;
dbo:pubchem "4964"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(=O)CBr)O" ;
dbp:inchikey "LJYOFQHKEWTQRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Br14HOFyC2a" ;
skos:prefLabel "2-broom-1-(4-hydroxyfenyl)ethaan-1-on"@nl .
csc:DTAPQAJKAFRNJB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17516 ;
dbo:casNumber "31677-56-2" , "2631-37-0" , "4111-89-1" ;
dbo:formula "C12H17NO2" ;
dbo:inchi "InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)" ;
dbo:iupacName "(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17516"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)OC(=O)NC)C(C)C" ;
dbp:inchikey "DTAPQAJKAFRNJB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "promcb" ;
skos:prefLabel "promecarb"@nl .
csc:VUVGYHUDAICLFK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:30318 ;
dbo:casNumber "7446-13-1" , "12060-19-4" , "20816-12-0" ;
dbo:formula "O4Os" ;
dbo:inchi "InChI=1S/4O.Os" ;
dbo:iupacName "tetraoxoosmium"@en ;
dbo:pubchem "30318"^^xsd:int ;
dbo:smiles "O=[Os](=O)(=O)=O" ;
dbp:inchikey "VUVGYHUDAICLFK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OsT4O" ;
skos:prefLabel "osmium tetraoxide"@nl .
csc:WIIZWVCIJKGZOK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:298 ;
dbo:casNumber "56-75-7" , "579-51-1" ;
dbo:formula "C11H12Cl2N2O5" ;
dbo:inchi "InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)" ;
dbo:iupacName "2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide"@en ;
dbo:pubchem "298"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]" ;
dbp:inchikey "WIIZWVCIJKGZOK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clafncl" ;
skos:prefLabel "chlooramfenicol"@nl .
csc:MNWBNISUBARLIT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8929 ;
dbo:casNumber "25596-52-5" , "143-33-9" , "13998-03-3" ;
dbo:formula "CNNa" ;
dbo:inchi "InChI=1S/CN.Na/c1-2;/q-1;+1" ;
dbo:iupacName "Sodium cyanide"@en ;
dbo:pubchem "8929"^^xsd:int ;
dbo:smiles "[C-]#N.[Na+]" ;
dbp:inchikey "MNWBNISUBARLIT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000525 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaCN" ;
skos:prefLabel "natriumcyanide"@nl .
csc:CDBYLPFSWZWCQE-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10340 ;
dbo:casNumber "1332-57-6" , "497-19-8" ;
dbo:formula "CNa2O3" ;
dbo:inchi "InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2" ;
dbo:iupacName "Disodium carbonate"@en ;
dbo:pubchem "10340"^^xsd:int ;
dbo:smiles "C(=O)([O-])[O-].[Na+].[Na+]" ;
dbp:inchikey "CDBYLPFSWZWCQE-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na2CO3" ;
skos:prefLabel "natriumcarbonaat"@nl .
csc:XYLMUPLGERFSHI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7407 ;
dbo:casNumber "42612-14-6" , "25014-31-7" , "98-83-9" ;
dbo:formula "C9H10" ;
dbo:inchi "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" ;
dbo:iupacName "prop-1-en-2-ylbenzene"@en ;
dbo:pubchem "7407"^^xsd:int ;
dbo:smiles "CC(=C)C1=CC=CC=C1" ;
dbp:inchikey "XYLMUPLGERFSHI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_001 , co:LUC_IV_000 , co:LUC_IV_011 ;
skos:altLabel "alfa-methylstyreen"@nl ;
skos:broader csc:CHEMONTID_0000045 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aC1ysrn" ;
skos:prefLabel "isopropenylbenzeen (alfa-methylstyreen)"@nl .
csc:HSUGRBWQSSZJOP-RTWAWAEBSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:39186 ;
dbo:casNumber "42399-41-7" ;
dbo:formula "C22H26N2O4S" ;
dbo:inchi "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1" ;
dbo:iupacName "[(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate"@en ;
dbo:pubchem "39186"^^xsd:int ;
dbo:smiles "CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC" ;
dbp:inchikey "HSUGRBWQSSZJOP-RTWAWAEBSA-N" ;
skos:broader csc:CHEMONTID_0000317 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "diltazm" ;
skos:prefLabel "diltiazem"@nl .
csc:URKOMYMAXPYINW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5002 ;
dbo:casNumber "111974-69-7" ;
dbo:formula "C21H25N3O2S" ;
dbo:inchi "InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2" ;
dbo:iupacName "2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol"@en ;
dbo:pubchem "5002"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42" ;
dbp:inchikey "URKOMYMAXPYINW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000055 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quetpne" ;
skos:prefLabel "quetiapine"@nl .
csc:QMVPMAAFGQKVCJ-SNVBAGLBSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:101977 ;
dbo:casNumber "106-22-9" , "1117-61-9" ;
dbo:formula "C10H20O" ;
dbo:inchi "InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1" ;
dbo:iupacName "(3R)-3,7-dimethyloct-6-en-1-ol"@en ;
dbo:pubchem "101977"^^xsd:int ;
dbo:smiles "CC(CCC=C(C)C)CCO" ;
dbp:inchikey "QMVPMAAFGQKVCJ-SNVBAGLBSA-N" ;
skos:broader csc:CHEMONTID_0001127 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "citnll" ;
skos:prefLabel "citronellol"@nl .
csc:ARERIMFZYPFJAV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38386 ;
dbo:casNumber "40088-47-9" , "115633-92-6" , "82458-12-6" ;
dbo:formula "C12H6Br4O" ;
dbo:inchi "InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H" ;
dbo:iupacName "1,2,3-tribromo-4-(4-bromophenoxy)benzene"@en ;
dbo:pubchem "38386"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br" ;
dbp:inchikey "ARERIMFZYPFJAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_40088-47-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "tetrabroomdifenylether"@nl ;
vcs:vmmParameterId "1458"^^xsd:int .
csc:QKICWELGRMTQCR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:64927 ;
dbo:casNumber "50-63-5" , "6384-82-3" , "69698-56-2" ;
dbo:formula "C18H32ClN3O8P2" ;
dbo:inchi "InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)" ;
dbo:iupacName "N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine; phosphoric acid"@en ;
dbo:pubchem "64927"^^xsd:int ;
dbo:smiles "CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O" ;
dbp:inchikey "QKICWELGRMTQCR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004537 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClqnDFO4" ;
skos:prefLabel "chloorquinedifosfaat"@nl .
csc:MNEXVZFQQPKDHC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86998 ;
dbo:casNumber "68259-12-1" ;
dbo:formula "C9HF19O3S" ;
dbo:inchi "InChI=1S/C9HF19O3S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31/h(H,29,30,31)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonic acid"@en ;
dbo:pubchem "86998"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "MNEXVZFQQPKDHC-UHFFFAOYSA-N" ;
skos:altLabel "perfluornonaan-1-sulfonzuur"@nl , "perfluor-n-nonaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFNS" , "PFC9asfzr" ;
skos:prefLabel "perfluor-n-nonaansulfonzuur (pfns)"@nl .
csc:GKQHIYSTBXDYNQ-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7717 ;
dbo:casNumber "104-74-5" , "104-73-4" , "138870-69-6" ;
dbo:formula "C17H30ClN" ;
dbo:inchi "InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1" ;
dbo:iupacName "1-dodecylpyridin-1-ium chloride"@en ;
dbo:pubchem "7717"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "GKQHIYSTBXDYNQ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001764 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C12yprdnCl" ;
skos:prefLabel "1-dodecylpyridinium chloride"@nl .
csc:RDYMFSUJUZBWLH-GDSHQCHSSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433227 ;
dbo:casNumber "33213-66-0" , "959-98-8" , "12640-58-3" , "19595-59-6" , "29106-31-8" ;
dbo:formula "C9H6Cl6O3S" ;
dbo:inchi "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m1/s1" ;
dbo:iupacName "(2R,8S,9R)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide"@en ;
dbo:pubchem "6433227"^^xsd:int ;
dbo:smiles "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "RDYMFSUJUZBWLH-GDSHQCHSSA-N" ;
skos:broader csc:CHEMONTID_0002074 ;
skos:exactMatch wise:CAS_959-98-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aedsfn" ;
skos:prefLabel "alfa-endosulfan"@nl ;
vcs:vmmParameterId "236"^^xsd:int .
csc:UEBFLTZXUXZPJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:139575 ;
dbo:casNumber "13750-81-7" ;
dbo:formula "C5H6N2O" ;
dbo:inchi "InChI=1S/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3" ;
dbo:iupacName "1-methylimidazole-2-carbaldehyde"@en ;
dbo:pubchem "139575"^^xsd:int ;
dbo:smiles "CN1C=CN=C1C=O" ;
dbp:inchikey "UEBFLTZXUXZPJO-UHFFFAOYSA-N" ;
skos:altLabel "1-methyl-1H-imidazool-2-carbaldehyde"@nl ;
skos:broader csc:CHEMONTID_0003213 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y1Himdz2c" ;
skos:prefLabel "1-methyl-1h-imidazool-2-carbaldehyde"@nl .
csc:QGTYWWGEWOBMAK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:32739 ;
dbo:casNumber "24934-91-6" ;
dbo:formula "C5H12ClO2PS2" ;
dbo:inchi "InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3" ;
dbo:iupacName "chloromethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "32739"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCCl" ;
dbp:inchikey "QGTYWWGEWOBMAK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clmfs" ;
skos:prefLabel "chloormefos"@nl .
csc:MCOQHIWZJUDQIC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7551 ;
dbo:casNumber "101-27-9" ;
dbo:formula "C11H9Cl2NO2" ;
dbo:inchi "InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)" ;
dbo:iupacName "4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate"@en ;
dbo:pubchem "7551"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl" ;
dbp:inchikey "MCOQHIWZJUDQIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "barbn" ;
skos:prefLabel "barban"@nl .
csc:GRPRVIYRYGLIJU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24723 ;
dbo:casNumber "126-75-0" ;
dbo:formula "C8H19O3PS2" ;
dbo:inchi "InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3" ;
dbo:iupacName "1-(2-diethoxyphosphorylsulfanylethylsulfanyl)ethane"@en ;
dbo:pubchem "24723"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)SCCSCC" ;
dbp:inchikey "GRPRVIYRYGLIJU-UHFFFAOYSA-N" ;
skos:altLabel "demeton-s"@nl ;
skos:broader csc:CHEMONTID_0001438 ;
skos:exactMatch wise:CAS_126-75-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demtnS" ;
skos:prefLabel "demeton-S"@nl ;
vcs:vmmParameterId "729"^^xsd:int .
csc:SHXWCVYOXRDMCX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1615 ;
dbo:casNumber "69610-10-2" , "42542-10-9" , "54946-52-0" ;
dbo:formula "C11H15NO2" ;
dbo:inchi "InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3" ;
dbo:iupacName "1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine"@en ;
dbo:pubchem "1615"^^xsd:int ;
dbo:smiles "CC(CC1=CC2=C(C=C1)OCO2)NC" ;
dbp:inchikey "SHXWCVYOXRDMCX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34C1yeDoxmaf" ;
skos:prefLabel "3,4-methyleendioxymethamfetamine"@nl .
csc:AHJKRLASYNVKDZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6294 ;
dbo:casNumber "72-54-8" ;
dbo:formula "C14H10Cl4" ;
dbo:inchi "InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H" ;
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene"@en ;
dbo:pubchem "6294"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl" ;
dbp:inchikey "AHJKRLASYNVKDZ-UHFFFAOYSA-N" ;
skos:altLabel "pp'dichloordifenyldichloorethaan"@nl , "4,4'-dichloordifenyldichloorethaan"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_72-54-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DDD" ;
skos:prefLabel "p,p\uFFFD-ddd"@nl ;
vcs:vmmParameterId "261"^^xsd:int .
csc:GSNZNZUNAJCHDO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:18870 ;
dbo:casNumber "3408-97-7" ;
dbo:formula "C9H11BrN2O" ;
dbo:inchi "InChI=1S/C9H11BrN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" ;
dbo:iupacName "3-(4-bromophenyl)-1,1-dimethylurea"@en ;
dbo:pubchem "18870"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)Br" ;
dbp:inchikey "GSNZNZUNAJCHDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "brmrn" ;
skos:prefLabel "bromuron"@nl .
csc:SGZRQMALQBXAIQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16037 ;
dbo:casNumber "13392-18-2" ;
dbo:formula "C17H22BrNO4" ;
dbo:inchi "InChI=1S/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H" ;
dbo:iupacName "[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium bromide"@en ;
dbo:pubchem "16037"^^xsd:int ;
dbo:smiles "CC(CC1=CC=C(C=C1)O)[NH2+]CC(C2=CC(=CC(=C2)O)O)O.[Br-]" ;
dbp:inchikey "SGZRQMALQBXAIQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentrl" ;
skos:prefLabel "fenoterol"@nl .
csc:WTEVQBCEXWBHNA-JXMROGBWSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:638011 ;
dbo:casNumber "37350-34-8" , "96680-15-8" , "8022-94-4" , "141-27-5" , "5392-40-5" ;
dbo:formula "C10H16O" ;
dbo:inchi "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+" ;
dbo:iupacName "['(2E)-3,7-dimethylocta-2,6-dienal', '3,7-dimethylocta-2,6-dienal']"@en ;
dbo:pubchem "638011"^^xsd:int ;
dbo:smiles "CC(=CCCC(=CC=O)C)C" ;
dbp:inchikey "WTEVQBCEXWBHNA-JXMROGBWSA-N" ;
skos:broader csc:CHEMONTID_0001127 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "citl" ;
skos:prefLabel "citral"@nl .
csc:AJMAYLFJZQYRHN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23136180 ;
dbo:casNumber "120226-60-0" ;
dbo:formula "C12H5F21O3S" ;
dbo:inchi "InChI=1S/C12H5F21O3S/c13-3(14,1-2-37(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2,(H,34,35,36)" ;
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-sulfonic acid"@en ;
dbo:pubchem "23136180"^^xsd:int ;
dbo:smiles "C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "AJMAYLFJZQYRHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001179 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "10:2 FTS" ;
skos:prefLabel "10:2 fluortelomeersulfonzuur"@nl .
csc:BXPMAGSOWXBZHS-WEVVVXLNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9568700 ;
dbo:casNumber "1646-87-3" ;
dbo:formula "C7H14N2O3S" ;
dbo:inchi "InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+" ;
dbo:iupacName "[(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "9568700"^^xsd:int ;
dbo:smiles "CC(C)(C=NOC(=O)NC)S(=O)C" ;
dbp:inchikey "BXPMAGSOWXBZHS-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alDcSO" ;
skos:prefLabel "aldicarbsulfoxide"@nl .
csc:NIQCNGHVCWTJSM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8554 ;
dbo:casNumber "131-11-3" , "64441-70-9" ;
dbo:formula "C10H10O4" ;
dbo:inchi "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3" ;
dbo:iupacName "dimethyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8554"^^xsd:int ;
dbo:smiles "COC(=O)C1=CC=CC=C1C(=O)OC" ;
dbp:inchikey "NIQCNGHVCWTJSM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_131-11-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yFt" ;
skos:prefLabel "dimethylftalaat"@nl ;
vcs:vmmParameterId "68"^^xsd:int .
csc:YLQWCDOCJODRMT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10241 ;
dbo:casNumber "486-25-9" ;
dbo:formula "C13H8O" ;
dbo:inchi "InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H" ;
dbo:iupacName "Fluoren-9-one"@en ;
dbo:pubchem "10241"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC=C3C2=O" ;
dbp:inchikey "YLQWCDOCJODRMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9fluornn" ;
skos:prefLabel "9-fluorenon"@nl .
csc:GMTWWEPBGGXBTO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:151371 ;
dbo:casNumber "57226-68-3" , "56161-73-0" ;
dbo:formula "C16H17ClF3NO" ;
dbo:inchi "InChI=1S/C16H16F3NO.ClH/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12;/h1-9,15H,10-11,20H2;1H" ;
dbo:iupacName "3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride"@en ;
dbo:pubchem "151371"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F.Cl" ;
dbp:inchikey "GMTWWEPBGGXBTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norfoxtneHCL" ;
skos:prefLabel "norfluoxetine hydrochloride"@nl .
csc:WWJZWCUNLNYYAU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5392 ;
dbo:casNumber "53320-58-4" , "3383-96-8" ;
dbo:formula "C16H20O6P2S3" ;
dbo:inchi "InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3" ;
dbo:iupacName "[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfanylphenoxy]-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "5392"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC" ;
dbp:inchikey "WWJZWCUNLNYYAU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "temfs" ;
skos:prefLabel "temefos"@nl .
csc:PQNFLJBBNBOBRQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10326 ;
dbo:casNumber "496-11-7" , "56573-11-6" ;
dbo:formula "C9H10" ;
dbo:inchi "InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2" ;
dbo:iupacName "2,3-Dihydro-1H-indene"@en ;
dbo:pubchem "10326"^^xsd:int ;
dbo:smiles "C1CC2=CC=CC=C2C1" ;
dbp:inchikey "PQNFLJBBNBOBRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000027 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "inda" ;
skos:prefLabel "indaan"@nl .
csc:NKDDWNXOKDWJAK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8020 ;
dbo:casNumber "109-87-5" ;
dbo:formula "C3H8O2" ;
dbo:inchi "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" ;
dbo:iupacName "Dimethoxymethane"@en ;
dbo:pubchem "8020"^^xsd:int ;
dbo:smiles "COCOC" ;
dbp:inchikey "NKDDWNXOKDWJAK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001656 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1oxC1a" ;
skos:prefLabel "dimethoxymethaan"@nl .
csc:PGMZYNZXIYOOHJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62526 ;
dbo:casNumber "3861-41-4" ;
dbo:formula "C11H9Br2NO2" ;
dbo:inchi "InChI=1S/C11H9Br2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3" ;
dbo:iupacName "(2,6-dibromo-4-cyanophenyl) butanoate"@en ;
dbo:pubchem "62526"^^xsd:int ;
dbo:smiles "CCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br" ;
dbp:inchikey "PGMZYNZXIYOOHJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bromxnbtrt" ;
skos:prefLabel "bromoxynil butyraat"@nl .
csc:UAOMVDZJSHZZME-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7912 ;
dbo:casNumber "108-18-9" ;
dbo:formula "C6H15N" ;
dbo:inchi "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" ;
dbo:iupacName "N-propan-2-ylpropan-2-amine"@en ;
dbo:pubchem "7912"^^xsd:int ;
dbo:smiles "CC(C)NC(C)C" ;
dbp:inchikey "UAOMVDZJSHZZME-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC3yAe" ;
skos:prefLabel "diisopropylamine"@nl .
csc:QHPQWRBYOIRBIT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7393 ;
dbo:casNumber "98-54-4" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3" ;
dbo:iupacName "4-tert-Butylphenol"@en ;
dbo:pubchem "7393"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)O" ;
dbp:inchikey "QHPQWRBYOIRBIT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC4yFol" ;
skos:prefLabel "4-tertiair-butylfenol"@nl .
csc:GGSUCNLOZRCGPQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7061 ;
dbo:casNumber "91-66-7" ;
dbo:formula "C10H15N" ;
dbo:inchi "InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3" ;
dbo:iupacName "N,N-Diethylaniline"@en ;
dbo:pubchem "7061"^^xsd:int ;
dbo:smiles "CCN(CC)C1=CC=CC=C1" ;
dbp:inchikey "GGSUCNLOZRCGPQ-UHFFFAOYSA-N" ;
skos:altLabel "n,n-diethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC2yAn" ;
skos:prefLabel "N,N-diethylaniline"@nl .
csc:CJHXCRMKMMBYJQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:21290 ;
dbo:casNumber "5221-53-4" ;
dbo:formula "C11H19N3O" ;
dbo:inchi "InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)" ;
dbo:iupacName "5-butyl-2-dimethylamino-6-methyl-1H-pyrimidin-4-one"@en ;
dbo:pubchem "21290"^^xsd:int ;
dbo:smiles "CCCCC1=C(NC(=NC1=O)N(C)C)C" ;
dbp:inchikey "CJHXCRMKMMBYJQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmtrml" ;
skos:prefLabel "dimethirimol"@nl .
csc:HOPRIFATEWRIEO-YSKRITFZSA-J
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9570116 ;
dbo:casNumber "179472-56-1" , "116675-43-5" , "2602-46-2" ;
dbo:formula "C32H20N6Na4O14S4" ;
dbo:inchi "InChI=1S/C32H24N6O14S4.4Na/c33-23-13-21(53(41,42)43)9-17-11-25(55(47,48)49)29(31(39)27(17)23)37-35-19-5-1-15(2-6-19)16-3-7-20(8-4-16)36-38-30-26(56(50,51)52)12-18-10-22(54(44,45)46)14-24(34)28(18)32(30)40;;;;/h1-14,35-36H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4/b37-29+,38-30+;;;;" ;
dbo:iupacName "tetrasodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate"@en ;
dbo:pubchem "9570116"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-])NN=C5C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]" ;
dbp:inchikey "HOPRIFATEWRIEO-YSKRITFZSA-J" ;
skos:altLabel "C.I. Direct Blue 6"@nl ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cidbe6" ;
skos:prefLabel "c.i. direct blue 6"@nl .
csc:CNFMJLVJDNGPHR-UKTHLTGXSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6437842 ;
dbo:casNumber "76608-88-3" ;
dbo:formula "C15H25N3O" ;
dbo:inchi "InChI=1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h9-12,14,19H,4-8H2,1-3H3/b13-9+" ;
dbo:iupacName "['1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol', '(E)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol']"@en ;
dbo:pubchem "6437842"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(=CC1CCCCC1)N2C=NC=N2)O" ;
dbp:inchikey "CNFMJLVJDNGPHR-UKTHLTGXSA-N" ;
skos:broader csc:CHEMONTID_0000099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Taptnl" ;
skos:prefLabel "triapentenol"@nl .
csc:VUMCUSHVMYIRMB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12860 ;
dbo:casNumber "717-74-8" , "27322-34-5" ;
dbo:formula "C15H24" ;
dbo:inchi "InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3" ;
dbo:iupacName "1,3,5-tri(propan-2-yl)benzene"@en ;
dbo:pubchem "12860"^^xsd:int ;
dbo:smiles "CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C" ;
dbp:inchikey "VUMCUSHVMYIRMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TiC3yBen" ;
skos:prefLabel "1,3,5-triisopropylbenzeen"@nl .
csc:XMGQYMWWDOXHJM-SNVBAGLBSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:439250 ;
dbo:casNumber "5989-54-8" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1" ;
dbo:iupacName "(4S)-1-methyl-4-prop-1-en-2-ylcyclohexene"@en ;
dbo:pubchem "439250"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1)C(=C)C" ;
dbp:inchikey "XMGQYMWWDOXHJM-SNVBAGLBSA-N" ;
skos:altLabel "1-methyl-4-(1-methylethenyl)-,(S)-cyclohexeen"@nl ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y41C1yetn" ;
skos:prefLabel "1-methyl-4-(1-methylethenyl)-,(s)-cyclohexeen"@nl .
csc:JXTPJDDICSTXJX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12535 ;
dbo:casNumber "638-68-6" ;
dbo:formula "C30H62" ;
dbo:inchi "InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3" ;
dbo:iupacName "TRIACONTANE"@en ;
dbo:pubchem "12535"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "JXTPJDDICSTXJX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C30a" ;
skos:prefLabel "triacontaan"@nl .
csc:PWATWSYOIIXYMA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10864 ;
dbo:casNumber "538-68-1" , "74296-33-6" , "27458-20-4" ;
dbo:formula "C11H16" ;
dbo:inchi "InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3" ;
dbo:iupacName "Pentylbenzene"@en ;
dbo:pubchem "10864"^^xsd:int ;
dbo:smiles "CCCCCC1=CC=CC=C1" ;
dbp:inchikey "PWATWSYOIIXYMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C5yBen" ;
skos:prefLabel "pentylbenzeen"@nl .
csc:HSUIVCLOAAJSRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8344 ;
dbo:casNumber "117-82-8" ;
dbo:formula "C14H18O6" ;
dbo:inchi "InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3" ;
dbo:iupacName "bis(2-methoxyethyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8344"^^xsd:int ;
dbo:smiles "COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC" ;
dbp:inchikey "HSUIVCLOAAJSRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "D2C1oxC2yFt" ;
skos:prefLabel "di-(2-methoxyethyl)ftalaat"@nl .
csc:BBXXLROWFHWFQY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:32152 ;
dbo:casNumber "23947-60-6" ;
dbo:formula "C11H19N3O" ;
dbo:inchi "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" ;
dbo:iupacName "5-butyl-2-ethylamino-6-methyl-1H-pyrimidin-4-one"@en ;
dbo:pubchem "32152"^^xsd:int ;
dbo:smiles "CCCCC1=C(NC(=NC1=O)NCC)C" ;
dbp:inchikey "BBXXLROWFHWFQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004161 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etrml" ;
skos:prefLabel "ethirimol"@nl .
csc:IUBSYMUCCVWXPE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4171 ;
dbo:casNumber "54163-88-1" , "51384-51-1" , "37350-58-6" ;
dbo:formula "C15H25NO3" ;
dbo:inchi "InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3" ;
dbo:iupacName "1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "4171"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CCOC)O" ;
dbp:inchikey "IUBSYMUCCVWXPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:exactMatch wise:CAS_37350-58-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metpll" ;
skos:prefLabel "metoprolol"@nl ;
vcs:vmmParameterId "1404"^^xsd:int .
csc:OIJHFHYPXWSVPF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9074 ;
dbo:casNumber "156-10-5" ;
dbo:formula "C12H10N2O" ;
dbo:inchi "InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H" ;
dbo:iupacName "4-Nitroso-N-phenylaniline"@en ;
dbo:pubchem "9074"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O" ;
dbp:inchikey "OIJHFHYPXWSVPF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2sDFyAe" ;
skos:prefLabel "4-nitrosodifenylamine"@nl .
csc:OYPRJOBELJOOCE-RKEGKUSMSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335803 ;
dbo:casNumber "14391-99-2" ;
dbo:formula "Ca" ;
dbo:inchi "InChI=1S/Ca/i1+7" ;
dbo:iupacName "calcium-47"@en ;
dbo:pubchem "6335803"^^xsd:int ;
dbo:smiles "[Ca]" ;
dbp:inchikey "OYPRJOBELJOOCE-RKEGKUSMSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ca47" ;
skos:prefLabel "calcium 47"@nl .
csc:WBNQDOYYEUMPFS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5921 ;
dbo:casNumber "55-18-5" ;
dbo:formula "C4H10N2O" ;
dbo:inchi "InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3" ;
dbo:iupacName "N,N-diethylnitrous amide"@en ;
dbo:pubchem "5921"^^xsd:int ;
dbo:smiles "CCN(CC)N=O" ;
dbp:inchikey "WBNQDOYYEUMPFS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yNOAe" ;
skos:prefLabel "diethylnitrosamine"@nl .
csc:XUGNVMKQXJXZCD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8907 ;
dbo:casNumber "142-91-6" ;
dbo:formula "C19H38O2" ;
dbo:inchi "InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3" ;
dbo:iupacName "propan-2-yl hexadecanoate"@en ;
dbo:pubchem "8907"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC(=O)OC(C)C" ;
dbp:inchikey "XUGNVMKQXJXZCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3ypmtt" ;
skos:prefLabel "isopropylpalmitaat"@nl .
csc:WQEPLUUGTLDZJY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13849 ;
dbo:casNumber "1002-84-2" ;
dbo:formula "C15H30O2" ;
dbo:inchi "InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)" ;
dbo:iupacName "Pentadecanoic acid"@en ;
dbo:pubchem "13849"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "WQEPLUUGTLDZJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C15azr" ;
skos:prefLabel "pentadecaanzuur"@nl .
csc:BODRLKRKPXBDBN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18938 ;
dbo:casNumber "201404-81-1" , "3452-97-9" , "140237-16-7" ;
dbo:formula "C9H20O" ;
dbo:inchi "InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3" ;
dbo:iupacName "3,5,5-Trimethylhexan-1-ol"@en ;
dbo:pubchem "18938"^^xsd:int ;
dbo:smiles "CC(CCO)CC(C)(C)C" ;
dbp:inchikey "BODRLKRKPXBDBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "355TC1y1C6ol" ;
skos:prefLabel "3,5,5-trimethyl-1-hexanol"@nl .
csc:FWXSAXJNSVIOLZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:62039 ;
dbo:casNumber "53404-37-8" ;
dbo:formula "C16H22Cl2O3" ;
dbo:inchi "InChI=1S/C16H22Cl2O3/c1-4-12(7-11(2)3)9-21-16(19)10-20-15-6-5-13(17)8-14(15)18/h5-6,8,11-12H,4,7,9-10H2,1-3H3" ;
dbo:iupacName "(2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "62039"^^xsd:int ;
dbo:smiles "CCC(CC(C)C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "FWXSAXJNSVIOLZ-UHFFFAOYSA-N" ;
skos:altLabel "2,4-D 2-ethyl-4-methylpentyl ester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24D2C2y4C1yC" ;
skos:prefLabel "2,4-d 2-ethyl-4-methylpentyl ester"@nl .
csc:ZSLUVFAKFWKJRC-OIOBTWANSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167312 ;
dbo:casNumber "15594-54-4" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-3" ;
dbo:iupacName "thorium-229"@en ;
dbo:pubchem "167312"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "ZSLUVFAKFWKJRC-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th229" ;
skos:prefLabel "thorium 229"@nl .
csc:HAPOVYFOVVWLRS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3291 ;
dbo:casNumber "77-67-8" ;
dbo:formula "C7H11NO2" ;
dbo:inchi "InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)" ;
dbo:iupacName "3-Ethyl-3-methylpyrrolidine-2,5-dione"@en ;
dbo:pubchem "3291"^^xsd:int ;
dbo:smiles "CCC1(CC(=O)NC1=O)C" ;
dbp:inchikey "HAPOVYFOVVWLRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etsimde" ;
skos:prefLabel "ethosuximide"@nl .
csc:WLJVXDMOQOGPHL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:999 ;
dbo:casNumber "103-82-2" , "51146-16-8" ;
dbo:formula "C8H8O2" ;
dbo:inchi "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)" ;
dbo:iupacName "2-Phenylacetic acid"@en ;
dbo:pubchem "999"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC(=O)O" ;
dbp:inchikey "WLJVXDMOQOGPHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BenHAc" ;
skos:prefLabel "benzeenazijnzuur"@nl .
csc:XOIQMTLWECTKJL-PDHYURILSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5484043 ;
dbo:casNumber "22136-43-2" , "17090-79-8" ;
dbo:formula "C36H61NaO11" ;
dbo:inchi "InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29-,30-,31-,33+,34-,35+,36-;/m0./s1" ;
dbo:iupacName "sodium (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2S,3R,5S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate"@en ;
dbo:pubchem "5484043"^^xsd:int ;
dbo:smiles "CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)[O-])OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C.[Na+]" ;
dbp:inchikey "XOIQMTLWECTKJL-PDHYURILSA-M" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "monsn" ;
skos:prefLabel "monensin"@nl .
csc:CWYZDPHNAGSFQB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:88399 ;
dbo:casNumber "20193-21-9" ;
dbo:formula "C7H17N" ;
dbo:inchi "InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3" ;
dbo:iupacName "N-propylbutan-1-amine"@en ;
dbo:pubchem "88399"^^xsd:int ;
dbo:smiles "CCCCNCCC" ;
dbp:inchikey "CWYZDPHNAGSFQB-UHFFFAOYSA-N" ;
skos:altLabel "N-propyl-1-butaanamine"@nl ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC3y1C4aAe" ;
skos:prefLabel "n-propyl-1-butaanamine"@nl .
csc:XTRDKALNCIHHNI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11813 ;
dbo:casNumber "606-20-2" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "2-Methyl-1,3-dinitrobenzene"@en ;
dbo:pubchem "11813"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "XTRDKALNCIHHNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DNO2Tol" ;
skos:prefLabel "2,6-dinitrotolueen"@nl .
csc:HMBBJSKXDBUNNT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:42948 ;
dbo:casNumber "67774-32-7" , "59080-40-9" ;
dbo:formula "C12H4Br6" ;
dbo:inchi "InChI=1S/C12H4Br6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H" ;
dbo:iupacName "1,2,4-tribromo-5-(2,4,5-tribromophenyl)benzene"@en ;
dbo:pubchem "42948"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br" ;
dbp:inchikey "HMBBJSKXDBUNNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB153" ;
skos:prefLabel "2,2',4,4',5,5'-hexabroombifenyl"@nl .
csc:VLJXXKKOSFGPHI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11507 ;
dbo:casNumber "116502-45-5" , "589-34-4" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3" ;
dbo:iupacName "3-Methylhexane"@en ;
dbo:pubchem "11507"^^xsd:int ;
dbo:smiles "CCCC(C)CC" ;
dbp:inchikey "VLJXXKKOSFGPHI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yC6a" ;
skos:prefLabel "3-methylhexaan"@nl .
csc:OKBVVJOGVLARMR-QSWIMTSFSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5362065 ;
dbo:casNumber "79350-37-1" ;
dbo:formula "C16H15N5O7S2" ;
dbo:inchi "InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1" ;
dbo:iupacName "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "5362065"^^xsd:int ;
dbo:smiles "C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O" ;
dbp:inchikey "OKBVVJOGVLARMR-QSWIMTSFSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefxm" ;
skos:prefLabel "cefixim"@nl .
csc:PQSUYGKTWSAVDQ-ZVIOFETBSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5839 ;
dbo:casNumber "52-39-1" , "152-04-5" , "10328-70-8" ;
dbo:formula "C21H28O5" ;
dbo:inchi "InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1" ;
dbo:iupacName "(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde"@en ;
dbo:pubchem "5839"^^xsd:int ;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O" ;
dbp:inchikey "PQSUYGKTWSAVDQ-ZVIOFETBSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aldtrn" ;
skos:prefLabel "aldosteron"@nl .
csc:GEHJBWKLJVFKPS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:542762 ;
dbo:casNumber "5589-96-8" ;
dbo:formula "C2H2BrClO2" ;
dbo:inchi "InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)" ;
dbo:iupacName "2-bromo-2-chloroacetic acid"@en ;
dbo:pubchem "542762"^^xsd:int ;
dbo:smiles "C(C(=O)O)(Cl)Br" ;
dbp:inchikey "GEHJBWKLJVFKPS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrClHAc" ;
skos:prefLabel "broomchloorazijnzuur"@nl .
csc:SHKUUQIDMUMQQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17046 ;
dbo:casNumber "162786-24-5" , "29611-97-0" , "2425-79-8" , "134498-52-5" , "152618-32-1" , "83138-98-1" , "54350-59-3" , "139074-76-3" ;
dbo:formula "C10H18O4" ;
dbo:inchi "InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2" ;
dbo:iupacName "2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane"@en ;
dbo:pubchem "17046"^^xsd:int ;
dbo:smiles "C1C(O1)COCCCCOCC2CO2" ;
dbp:inchikey "SHKUUQIDMUMQQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14C4aDoDgcdE" ;
skos:prefLabel "1,4-butaandioldiglycidylether"@nl .
csc:OIRFJRBSRORBCM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3735 ;
dbo:casNumber "96-83-3" ;
dbo:formula "C11H12I3NO2" ;
dbo:inchi "InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)" ;
dbo:iupacName "2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid"@en ;
dbo:pubchem "3735"^^xsd:int ;
dbo:smiles "CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O" ;
dbp:inchikey "OIRFJRBSRORBCM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jopninzr" ;
skos:prefLabel "jopano\uFFFDnezuur"@nl .
csc:VACCAVUAMIDAGB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5328 ;
dbo:casNumber "144-82-1" ;
dbo:formula "C9H10N4O2S2" ;
dbo:inchi "InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)" ;
dbo:iupacName "4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide"@en ;
dbo:pubchem "5328"^^xsd:int ;
dbo:smiles "CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "VACCAVUAMIDAGB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfmtzl" ;
skos:prefLabel "sulfamethizol"@nl .
csc:QGBSISYHAICWAH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10005 ;
dbo:casNumber "139351-77-2" , "461-58-5" , "157480-33-6" , "125148-58-5" , "139351-78-3" ;
dbo:formula "C2H4N4" ;
dbo:inchi "InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)" ;
dbo:iupacName "2-Cyanoguanidine"@en ;
dbo:pubchem "10005"^^xsd:int ;
dbo:smiles "C(#N)N=C(N)N" ;
dbp:inchikey "QGBSISYHAICWAH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000375 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CNgandne" ;
skos:prefLabel "cyaanguanidine"@nl .
csc:BFKJFAAPBSQJPD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8301 ;
dbo:casNumber "9014-83-9" , "116-14-3" ;
dbo:formula "C2F4" ;
dbo:inchi "InChI=1S/C2F4/c3-1(4)2(5)6" ;
dbo:iupacName "1,1,2,2-tetrafluoroethene"@en ;
dbo:pubchem "8301"^^xsd:int ;
dbo:smiles "C(=C(F)F)(F)F" ;
dbp:inchikey "BFKJFAAPBSQJPD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4FC2e" ;
skos:prefLabel "tetrafluoretheen"@nl .
csc:KKCBUQHMOMHUOY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:73971 ;
dbo:casNumber "37382-45-9" , "1313-59-3" ;
dbo:formula "Na2O" ;
dbo:inchi "InChI=1S/2Na.O/q2*+1;-2" ;
dbo:iupacName "disodium oxygen(-2) anion"@en ;
dbo:pubchem "73971"^^xsd:int ;
dbo:smiles "[O-2].[Na+].[Na+]" ;
dbp:inchikey "KKCBUQHMOMHUOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000526 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na2O" ;
skos:prefLabel "dinatriumoxide"@nl .
csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II (D5) 'thallium en thalliumverbindingen, uitgedrukt als thallium'"@nl , "VLAR II bijl. 4.4.2 'thallium en zijn verbindingen, uitgedrukt in Se'"@nl , "VLAR III (D3, diverse art) 'Tl'"@nl , "VLAR II bijl. 2.5.2 'thallium'"@nl , "VLAR III (D3) 'thallium en de verbindingen daarvan, uitgedrukt als thallium (Tl)"@nl ;
rdfs:seeAlso compound:5359464 ;
dbo:casNumber "82870-81-3" , "113835-49-7" , "7440-28-0" ;
dbo:formula "Tl" ;
dbo:inchi "InChI=1S/Tl" ;
dbo:iupacName "THALLIUM"@en ;
dbo:pubchem "5359464"^^xsd:int ;
dbo:smiles "[Tl]" ;
dbp:inchikey "BKVIYDNLLOSFOA-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:broader csc:CHEMONTID_0000427 ;
skos:definition "thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)"@nl ;
skos:exactMatch wise:CAS_7440-28-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tl" ;
skos:prefLabel "thallium"@nl ;
vcs:vmmParameterId "188"^^xsd:int , "1976"^^xsd:int , "190"^^xsd:int , "189"^^xsd:int .
csc:YIWUKEYIRIRTPP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7720 ;
dbo:casNumber "111675-57-1" , "704-76-7" , "104-76-7" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" ;
dbo:iupacName "2-Ethylhexan-1-ol"@en ;
dbo:pubchem "7720"^^xsd:int ;
dbo:smiles "CCCCC(CC)CO" ;
dbp:inchikey "YIWUKEYIRIRTPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2y1C6ol" ;
skos:prefLabel "2-ethyl-1-hexanol"@nl .
csc:XGZVUEUWXADBQD-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11125 ;
dbo:casNumber "10377-37-4" , "12767-19-0" , "554-13-2" , "216964-61-3" ;
dbo:formula "CLi2O3" ;
dbo:inchi "InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2" ;
dbo:iupacName "Dilithium carbonate"@en ;
dbo:pubchem "11125"^^xsd:int ;
dbo:smiles "[Li+].[Li+].C(=O)([O-])[O-]" ;
dbp:inchikey "XGZVUEUWXADBQD-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "LiCO3" ;
skos:prefLabel "lithium carbonaat"@nl .
csc:VDBHOHJWUDKDRW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:47167 ;
dbo:casNumber "15323-35-0" , "55599-08-1" , "64058-43-1" ;
dbo:formula "C17H24O" ;
dbo:inchi "InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3" ;
dbo:iupacName "1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone"@en ;
dbo:pubchem "47167"^^xsd:int ;
dbo:smiles "CC1C(C2=C(C1(C)C)C=C(C(=C2)C)C(=O)C)(C)C" ;
dbp:inchikey "VDBHOHJWUDKDRW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000027 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AHMI" ;
skos:prefLabel "5-acetyl-1,1,2,3,3,6-hexamethylindaan"@nl .
csc:VOTXWUCYIOPNNR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:69855 ;
dbo:casNumber "769-11-9" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2" ;
dbo:iupacName "2-Chloro-6-nitroaniline"@en ;
dbo:pubchem "69855"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-]" ;
dbp:inchikey "VOTXWUCYIOPNNR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6NO2An" ;
skos:prefLabel "2-chloor-6-nitroaniline"@nl .
csc:LEQAOMBKQFMDFZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7860 ;
dbo:casNumber "40094-65-3" , "107-22-2" , "83513-30-8" , "9005-91-8" ;
dbo:formula "C2H2O2" ;
dbo:inchi "InChI=1S/C2H2O2/c3-1-2-4/h1-2H" ;
dbo:iupacName "oxaldehyde"@en ;
dbo:pubchem "7860"^^xsd:int ;
dbo:smiles "C(=O)C=O" ;
dbp:inchikey "LEQAOMBKQFMDFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002230 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glyoxl" ;
skos:prefLabel "glyoxaal"@nl .
csc:UHXUZOCRWCRNSJ-QPJJXVBHSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5353758 ;
dbo:casNumber "16752-77-5" , "19928-35-9" ;
dbo:formula "C5H10N2O2S" ;
dbo:inchi "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+" ;
dbo:iupacName "(1-methylsulfanylethylideneamino) N-methylcarbamate"@en ;
dbo:pubchem "5353758"^^xsd:int ;
dbo:smiles "CC(=NOC(=O)NC)SC" ;
dbp:inchikey "UHXUZOCRWCRNSJ-QPJJXVBHSA-N" ;
skos:broader csc:CHEMONTID_0002285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metml" ;
skos:prefLabel "methomyl"@nl .
csc:VAHKBZSAUKPEOV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27960 ;
dbo:casNumber "16606-02-3" , "63439-93-0" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H" ;
dbo:iupacName "1,4-dichloro-2-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "27960"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl" ;
dbp:inchikey "VAHKBZSAUKPEOV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB31" ;
skos:prefLabel "2,4',5-trichloorbifenyl"@nl .
csc:OYTJKRAYGYRUJK-FMCCZJBLSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:441351 ;
dbo:casNumber "119302-91-9" ;
dbo:formula "C32H53BrN2O4" ;
dbo:inchi "InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1" ;
dbo:iupacName "[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide"@en ;
dbo:pubchem "441351"^^xsd:int ;
dbo:smiles "CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]" ;
dbp:inchikey "OYTJKRAYGYRUJK-FMCCZJBLSA-M" ;
skos:broader csc:CHEMONTID_0001691 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rocrnBr" ;
skos:prefLabel "rocuronium bromide"@nl .
csc:TWIMUEGVLWNOMO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:168665 ;
dbo:casNumber "27177-01-1" ;
dbo:formula "C27H48O7" ;
dbo:inchi "InChI=1S/C27H48O7/c1-2-3-4-5-6-7-8-11-26-12-9-10-13-27(26)34-25-24-33-23-22-32-21-20-31-19-18-30-17-16-29-15-14-28/h9-10,12-13,28H,2-8,11,14-25H2,1H3" ;
dbo:iupacName "2-[2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol"@en ;
dbo:pubchem "168665"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCO" ;
dbp:inchikey "TWIMUEGVLWNOMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO6" ;
skos:prefLabel "nonylfenolhexaethoxylaat"@nl .
csc:DCTOHCCUXLBQMS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13190 ;
dbo:casNumber "68526-57-8" , "821-95-4" , "10-01-5" ;
dbo:formula "C11H22" ;
dbo:inchi "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3" ;
dbo:iupacName "undec-1-ene"@en ;
dbo:pubchem "13190"^^xsd:int ;
dbo:smiles "CCCCCCCCCC=C" ;
dbp:inchikey "DCTOHCCUXLBQMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C11e" ;
skos:prefLabel "1-undeceen"@nl .
csc:WHHGLZMJPXIBIX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14410 ;
dbo:casNumber "145538-74-5" , "109945-70-2" , "1163-19-5" ;
dbo:formula "C12Br10O" ;
dbo:inchi "InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene"@en ;
dbo:pubchem "14410"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "WHHGLZMJPXIBIX-UHFFFAOYSA-N" ;
skos:altLabel "bde 209"@nl , "decabroomdifenylether (bde209)"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_1163-19-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE209" ;
skos:prefLabel "2,2',3,3',4,4',5,5',6,6'-decabroomdiphenylether"@nl ;
vcs:vmmParameterId "938"^^xsd:int .
csc:HEMHJVSKTPXQMS-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14798 ;
dbo:casNumber "1310-73-2" , "8012-01-9" ;
dbo:formula "HNaO" ;
dbo:inchi "InChI=1S/Na.H2O/h;1H2/q+1;/p-1" ;
dbo:iupacName "SODIUM HYDROXIDE"@en ;
dbo:pubchem "14798"^^xsd:int ;
dbo:smiles "[OH-].[Na+]" ;
dbp:inchikey "HEMHJVSKTPXQMS-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaOH" ;
skos:prefLabel "natriumhydroxide"@nl .
csc:ZBMRKNMTMPPMMK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:53597 ;
dbo:casNumber "82785-28-2" , "106917-54-8" , "118336-14-4" , "77182-82-2" , "51276-47-2" ;
dbo:formula "C5H15N2O4P" ;
dbo:inchi "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" ;
dbo:iupacName "azanium 2-amino-4-(hydroxy-methylphosphoryl)butanoate"@en ;
dbo:pubchem "53597"^^xsd:int ;
dbo:smiles "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" ;
dbp:inchikey "ZBMRKNMTMPPMMK-UHFFFAOYSA-N" ;
skos:altLabel "glufosinaat-ammonium"@nl ;
skos:broader csc:CHEMONTID_0002404 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glufsntNH4" , "glufsnt" ;
skos:prefLabel "glufosinaat"@nl .
csc:XTEGARKTQYYJKE-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104770 ;
dbo:casNumber "14866-68-3" , "13932-10-0" ;
dbo:formula "ClO3-" ;
dbo:inchi "InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1" ;
dbo:iupacName "Chlorate"@en ;
dbo:pubchem "104770"^^xsd:int ;
dbo:smiles "[O-]Cl(=O)=O" ;
dbp:inchikey "XTEGARKTQYYJKE-UHFFFAOYSA-M" ;
skos:altLabel "chloortrioxide"@nl ;
skos:broader csc:CHEMONTID_0001049 ;
skos:exactMatch wise:CAS_14866-68-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClO3" , "ClTO" ;
skos:prefLabel "chloraat"@nl ;
vcs:vmmParameterId "464"^^xsd:int .
csc:ALDJIKXAHSDLLB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38875 ;
dbo:casNumber "41464-39-5" , "70362-46-8" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H" ;
dbo:iupacName "1,2-dichloro-3-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "38875"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2)Cl)Cl" ;
dbp:inchikey "ALDJIKXAHSDLLB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB44" ;
skos:prefLabel "2,2',3,5'-tetrachloorbifenyl"@nl .
csc:MNWFXJYAOYHMED-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8094 ;
dbo:casNumber "111-14-8" ;
dbo:formula "C7H14O2" ;
dbo:inchi "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)" ;
dbo:iupacName "Heptanoic acid"@en ;
dbo:pubchem "8094"^^xsd:int ;
dbo:smiles "CCCCCCC(=O)O" ;
dbp:inchikey "MNWFXJYAOYHMED-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C7azr" ;
skos:prefLabel "heptaanzuur"@nl .
csc:CRVGTESFCCXCTH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7767 ;
dbo:casNumber "511262-76-3" , "105-59-9" ;
dbo:formula "C5H13NO2" ;
dbo:inchi "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3" ;
dbo:iupacName "2-(2-hydroxyethyl-methylamino)ethanol"@en ;
dbo:pubchem "7767"^^xsd:int ;
dbo:smiles "CN(CCO)CCO" ;
dbp:inchikey "CRVGTESFCCXCTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001897 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C1yimnDC2o" ;
skos:prefLabel "2,2'-methyliminodiethanol"@nl .
csc:LOCWBQIWHWIRGN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8492 ;
dbo:casNumber "121-87-9" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2" ;
dbo:iupacName "2-Chloro-4-nitroaniline"@en ;
dbo:pubchem "8492"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])Cl)N" ;
dbp:inchikey "LOCWBQIWHWIRGN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl4NO2An" ;
skos:prefLabel "2-chloor-4-nitroaniline"@nl .
csc:UJIGKESMIPTWJH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62353 ;
dbo:casNumber "507-55-1" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H" ;
dbo:iupacName "1,3-Dichloro-1,1,2,2,3-pentafluoropropane"@en ;
dbo:pubchem "62353"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)Cl)(F)F)(F)Cl" ;
dbp:inchikey "UJIGKESMIPTWJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225cb" ;
skos:prefLabel "1,3-dichloor-1,1,2,2,3-pentafluorpropaan"@nl .
csc:CKPCAYZTYMHQEX-JXAWBTAJSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6023583 ;
dbo:casNumber "88283-41-4" ;
dbo:formula "C14H12Cl2N2O" ;
dbo:inchi "InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-" ;
dbo:iupacName "1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine"@en ;
dbo:pubchem "6023583"^^xsd:int ;
dbo:smiles "CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "CKPCAYZTYMHQEX-JXAWBTAJSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrfnx" ;
skos:prefLabel "pyrifenox"@nl .
csc:OZAIFHULBGXAKX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6547 ;
dbo:casNumber "39322-24-2" , "76012-28-7" , "80748-81-8" , "78-67-1" , "58449-80-2" , "67035-64-7" , "95210-41-6" , "34241-39-9" ;
dbo:formula "C8H12N4" ;
dbo:inchi "InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3" ;
dbo:iupacName "2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile"@en ;
dbo:pubchem "6547"^^xsd:int ;
dbo:smiles "CC(C)(C#N)N=NC(C)(C)C#N" ;
dbp:inchikey "OZAIFHULBGXAKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000410 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DC1y22aDpp" ;
skos:prefLabel "2,2'-dimethyl-2,2'-azodipropiononitril"@nl .
csc:GHVNFZFCNZKVNT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2969 ;
dbo:casNumber "334-48-5" , "52627-73-3" ;
dbo:formula "C10H20O2" ;
dbo:inchi "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" ;
dbo:iupacName "Decanoic acid"@en ;
dbo:pubchem "2969"^^xsd:int ;
dbo:smiles "CCCCCCCCCC(=O)O" ;
dbp:inchikey "GHVNFZFCNZKVNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C10azr" ;
skos:prefLabel "decaanzuur"@nl .
csc:PSGPXWYGJGGEEG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40816 ;
dbo:casNumber "2314-09-2" ;
dbo:formula "C18H18O3" ;
dbo:inchi "InChI=1S/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3" ;
dbo:iupacName "Butyl 9-hydroxyfluorene-9-carboxylate"@en ;
dbo:pubchem "40816"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O" ;
dbp:inchikey "PSGPXWYGJGGEEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurnC4y" ;
skos:prefLabel "flurenol-butyl"@nl .
csc:BPMVRAQIQQEBLN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2553 ;
dbo:casNumber "6804-07-5" , "39310-25-3" ;
dbo:formula "C11H10N4O4" ;
dbo:inchi "InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7,18H,1H3" ;
dbo:iupacName "['methyl N-[(E)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(Z)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methylimino]carbamate']"@en ;
dbo:pubchem "2553"^^xsd:int ;
dbo:smiles "COC(=O)N=NC=C1C=[N+](C2=CC=CC=C2N1O)[O-]" ;
dbp:inchikey "BPMVRAQIQQEBLN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000486 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbdx" ;
skos:prefLabel "carbadox"@nl .
csc:YTWXDQVNPCIEOX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:50891 ;
dbo:casNumber "69782-90-7" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-5-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "50891"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "YTWXDQVNPCIEOX-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB 157"@nl , "pcb 157"@nl , "2,3,3',4,4',5'-hexachloorbifenyl (pcb157)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_69782-90-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB157" ;
skos:prefLabel "2,3,3',4,4',5'-hexachloorbifenyl"@nl ;
vcs:vmmParameterId "1373"^^xsd:int .
csc:YMHOBZXQZVXHBM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:98527 ;
dbo:casNumber "66142-81-2" ;
dbo:formula "C10H14BrNO2" ;
dbo:inchi "InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3" ;
dbo:iupacName "2-(4-bromo-2,5-dimethoxyphenyl)ethanamine"@en ;
dbo:pubchem "98527"^^xsd:int ;
dbo:smiles "COC1=CC(=C(C=C1CCN)OC)Br" ;
dbp:inchikey "YMHOBZXQZVXHBM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24Br25DC1oxF" ;
skos:prefLabel "2-(4-broom-2,5-dimethoxyfenyl) ethylamine"@nl .
csc:ZXCYIJGIGSDJQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12018 ;
dbo:casNumber "616-23-9" , "82890-22-0" ;
dbo:formula "C3H6Cl2O" ;
dbo:inchi "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2" ;
dbo:iupacName "2,3-Dichloropropan-1-ol"@en ;
dbo:pubchem "12018"^^xsd:int ;
dbo:smiles "C(C(CCl)Cl)O" ;
dbp:inchikey "ZXCYIJGIGSDJQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002608 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClC3ol" ;
skos:prefLabel "2,3-dichloorpropanol"@nl .
csc:GDSQRBLILFKERU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61110 ;
dbo:casNumber "422-44-6" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(8,1(6)7)3(5,9)10/h1H" ;
dbo:iupacName "1,2-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61110"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)Cl)(F)Cl)(F)F" ;
dbp:inchikey "GDSQRBLILFKERU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225bb" ;
skos:prefLabel "1,2-dichloor-1,1,2,3,3-pentafluorpropaan"@nl .
csc:BSBSDQUZDZXGFN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8293 ;
dbo:casNumber "115-93-5" ;
dbo:formula "C8H12NO5PS2" ;
dbo:inchi "InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)" ;
dbo:iupacName "4-dimethoxyphosphinothioyloxybenzenesulfonamide"@en ;
dbo:pubchem "8293"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N" ;
dbp:inchikey "BSBSDQUZDZXGFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cytoat" ;
skos:prefLabel "cythioaat"@nl .
csc:ADFXKUOMJKEIND-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4277 ;
dbo:casNumber "2387-23-7" ;
dbo:formula "C13H24N2O" ;
dbo:inchi "InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)" ;
dbo:iupacName "1,3-Dicyclohexylurea"@en ;
dbo:pubchem "4277"^^xsd:int ;
dbo:smiles "C1CCC(CC1)NC(=O)NC2CCCCC2" ;
dbp:inchikey "ADFXKUOMJKEIND-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DccC6yurum" ;
skos:prefLabel "1,3-dicyclohexylureum"@nl .
csc:RRZXIRBKKLTSOM-XPNPUAGNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6434889 ;
dbo:casNumber "65195-55-3" ;
dbo:formula "C48H72O14" ;
dbo:inchi "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" ;
dbo:iupacName "(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one"@en ;
dbo:pubchem "6434889"^^xsd:int ;
dbo:smiles "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" ;
dbp:inchikey "RRZXIRBKKLTSOM-XPNPUAGNSA-N" ;
skos:altLabel "avermectin b1a"@nl ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acmtnB1a" ;
skos:prefLabel "avermectin B1a"@nl .
csc:ILBWBNOBGCYGSU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6328651 ;
dbo:casNumber "1000-05-1" ;
dbo:formula "C8H24O3Si4" ;
dbo:inchi "InChI=1S/C8H24O3Si4/c1-12(2)9-14(5,6)11-15(7,8)10-13(3)4/h1-8H3" ;
dbo:iupacName "1,1,3,3,5,5,7,7-Octamethyltetrasiloxane"@en ;
dbo:pubchem "6328651"^^xsd:int ;
dbo:smiles "C[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C" ;
dbp:inchikey "ILBWBNOBGCYGSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004446 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OcC1yT4slxn" ;
skos:prefLabel "octamethyltetrasiloxaan"@nl .
csc:XTAHLACQOVXINQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:43495 ;
dbo:casNumber "60851-34-5" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H" ;
dbo:iupacName "2,3,4,6,7,8-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "43495"^^xsd:int ;
dbo:smiles "C1=C2C3=CC(=C(C(=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "XTAHLACQOVXINQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,4,6,7,8-hexachloordibenzofuran"@nl , "2,3,4,6,7,8-hexachloordibenzofuraan (hxcdf)"@nl , "2,3,4,6,7,8-hexachloordibenzofuraan"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_60851-34-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF130" ;
skos:prefLabel " 2,3,4,6,7,8-hexachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1243"^^xsd:int .
csc:PPKPKFIWDXDAGC-NSCUHMNNSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5366870 ;
dbo:casNumber "7069-38-7" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2+" ;
dbo:iupacName "['1,2-dichloroprop-1-ene', '(E)-1,2-dichloroprop-1-ene']"@en ;
dbo:pubchem "5366870"^^xsd:int ;
dbo:smiles "CC(=CCl)Cl" ;
dbp:inchikey "PPKPKFIWDXDAGC-NSCUHMNNSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t12DClC3e" ;
skos:prefLabel "trans-1,2-dichloorpropeen"@nl .
csc:MQHNKCZKNAJROC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8559 ;
dbo:casNumber "131-16-8" ;
dbo:formula "C14H18O4" ;
dbo:inchi "InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" ;
dbo:iupacName "dipropyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8559"^^xsd:int ;
dbo:smiles "CCCOC(=O)C1=CC=CC=C1C(=O)OCCC" ;
dbp:inchikey "MQHNKCZKNAJROC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_131-16-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC3yFt" ;
skos:prefLabel "dipropylftalaat"@nl ;
vcs:vmmParameterId "71"^^xsd:int .
csc:RRVIAQKBTUQODI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29216 ;
dbo:casNumber "18691-97-9" ;
dbo:formula "C10H11N3OS" ;
dbo:inchi "InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)" ;
dbo:iupacName "1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea"@en ;
dbo:pubchem "29216"^^xsd:int ;
dbo:smiles "CNC(=O)N(C)C1=NC2=CC=CC=C2S1" ;
dbp:inchikey "RRVIAQKBTUQODI-UHFFFAOYSA-N" ;
skos:altLabel "methabenzthiazuron"@nl ;
skos:broader csc:CHEMONTID_0000311 ;
skos:exactMatch wise:CAS_18691-97-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metbtazrn" ;
skos:prefLabel "metabenzthiazuron"@nl ;
vcs:vmmParameterId "276"^^xsd:int .
csc:FUVKFLJWBHVMHX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10958205 ;
dbo:casNumber "30334-69-1" ;
dbo:formula "C4H2F9NO2S" ;
dbo:inchi "InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide"@en ;
dbo:pubchem "10958205"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F" ;
dbp:inchikey "FUVKFLJWBHVMHX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003966 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFBSA" ;
skos:prefLabel "perfluorbutaansulfonamide"@nl .
csc:WWZKQHOCKIZLMA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:379 ;
dbo:casNumber "68937-74-6" , "18312-04-4" , "124-07-2" ;
dbo:formula "C8H16O2" ;
dbo:inchi "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" ;
dbo:iupacName "octanoic acid"@en ;
dbo:pubchem "379"^^xsd:int ;
dbo:smiles "CCCCCCCC(=O)O" ;
dbp:inchikey "WWZKQHOCKIZLMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8azr" ;
skos:prefLabel "octaanzuur"@nl .
csc:XJCVRTZCHMZPBD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7423 ;
dbo:casNumber "99-09-2" , "12262-63-4" ;
dbo:formula "C6H6N2O2" ;
dbo:inchi "InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2" ;
dbo:iupacName "3-Nitroaniline"@en ;
dbo:pubchem "7423"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)[N+](=O)[O-])N" ;
dbp:inchikey "XJCVRTZCHMZPBD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3NO2An" ;
skos:prefLabel "3-nitroaniline"@nl .
csc:WSSSPWUEQFSQQG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12724 ;
dbo:casNumber "691-37-2" , "25068-26-2" , "44390-46-7" ;
dbo:formula "C6H12" ;
dbo:inchi "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3" ;
dbo:iupacName "4-Methylpent-1-ene"@en ;
dbo:pubchem "12724"^^xsd:int ;
dbo:smiles "CC(C)CC=C" ;
dbp:inchikey "WSSSPWUEQFSQQG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y1C5e" ;
skos:prefLabel "4-methyl-1-penteen"@nl .
csc:WIFXJBMOTMKRMM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10140464 ;
dbo:casNumber "111872-58-3" ;
dbo:formula "C24H23BrF2O3" ;
dbo:inchi "InChI=1S/C24H23BrF2O3/c1-23(2,19-11-13-21(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3" ;
dbo:iupacName "1-(bromo-difluoromethoxy)-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene"@en ;
dbo:pubchem "10140464"^^xsd:int ;
dbo:smiles "CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC(F)(F)Br" ;
dbp:inchikey "WIFXJBMOTMKRMM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halepx" ;
skos:prefLabel "halfenprox"@nl .
csc:DSAJWYNOEDNPEQ-AKLPVKDBSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335490 ;
dbo:casNumber "14798-08-4" ;
dbo:formula "Ba" ;
dbo:inchi "InChI=1S/Ba/i1+3" ;
dbo:iupacName "barium-140"@en ;
dbo:pubchem "6335490"^^xsd:int ;
dbo:smiles "[Ba]" ;
dbp:inchikey "DSAJWYNOEDNPEQ-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ba140" ;
skos:prefLabel "barium 140"@nl .
csc:SVOAUHHKPGKPQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17169 ;
dbo:casNumber "2464-37-1" ;
dbo:formula "C14H9ClO3" ;
dbo:inchi "InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)" ;
dbo:iupacName "2-CHLORO-9-HYDROXYFLUORENE-9-CARBOXYLIC ACID"@en ;
dbo:pubchem "17169"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=C(C2(C(=O)O)O)C=C(C=C3)Cl" ;
dbp:inchikey "SVOAUHHKPGKPQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clfrnl" ;
skos:prefLabel "chloorflurenol"@nl .
csc:DSRNRYQBBJQVCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:29863 ;
dbo:casNumber "19937-59-8" ;
dbo:formula "C10H13ClN2O2" ;
dbo:inchi "InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)" ;
dbo:iupacName "3-(3-Chloro-4-methoxyphenyl)-1,1-dimethylurea"@en ;
dbo:pubchem "29863"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl" ;
dbp:inchikey "DSRNRYQBBJQVCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_19937-59-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metxrn" ;
skos:prefLabel "metoxuron"@nl ;
vcs:vmmParameterId "277"^^xsd:int .
csc:XKXPBJBODVHDAW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66538 ;
dbo:casNumber "84-68-4" ;
dbo:formula "C12H10Cl2N2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1-6H,15-16H2" ;
dbo:iupacName "4-(4-amino-2-chlorophenyl)-3-chloroaniline"@en ;
dbo:pubchem "66538"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)Cl)C2=C(C=C(C=C2)N)Cl" ;
dbp:inchikey "XKXPBJBODVHDAW-UHFFFAOYSA-N" ;
skos:altLabel "2,2\uFFFD-dichloorbenzidine"@nl ;
skos:broader csc:CHEMONTID_0003955 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DClbzdne" ;
skos:prefLabel "2,2'-dichloorbenzidine"@nl .
csc:FAOZLTXFLGPHNG-KNAQIMQKSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9878 ;
dbo:casNumber "426-13-1" ;
dbo:formula "C22H29FO4" ;
dbo:inchi "InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1" ;
dbo:iupacName "(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "9878"^^xsd:int ;
dbo:smiles "CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O" ;
dbp:inchikey "FAOZLTXFLGPHNG-KNAQIMQKSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fmtln" ;
skos:prefLabel "fluormetholon"@nl .
csc:DOGIHOCMZJUJNR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16665 ;
dbo:casNumber "2216-34-4" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3" ;
dbo:iupacName "4-Methyloctane"@en ;
dbo:pubchem "16665"^^xsd:int ;
dbo:smiles "CCCCC(C)CCC" ;
dbp:inchikey "DOGIHOCMZJUJNR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yC8a" ;
skos:prefLabel "4-methyloctaan"@nl .
csc:VSVAQRUUFVBBFS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91771 ;
dbo:casNumber "104653-34-1" ;
dbo:formula "C31H23BrO2S" ;
dbo:inchi "InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2" ;
dbo:iupacName "3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxythiochromen-4-one"@en ;
dbo:pubchem "91771"^^xsd:int ;
dbo:smiles "C1C(CC2=CC=CC=C2C1C3=C(SC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br" ;
dbp:inchikey "VSVAQRUUFVBBFS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002044 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dftiln" ;
skos:prefLabel "difethialon"@nl .
csc:HUMNYLRZRPPJDN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:240 ;
dbo:casNumber "100-52-7" ;
dbo:formula "C7H6O" ;
dbo:inchi "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" ;
dbo:iupacName "BENZALDEHYDE"@en ;
dbo:pubchem "240"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C=O" ;
dbp:inchikey "HUMNYLRZRPPJDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BenAh" ;
skos:prefLabel "benzaldehyde"@nl .
csc:GBDZXPJXOMHESU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12463 ;
dbo:casNumber "634-66-2" , "63697-20-1" , "13280-72-3" ;
dbo:formula "C6H2Cl4" ;
dbo:inchi "InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H" ;
dbo:iupacName "1,2,3,4-Tetrachlorobenzene"@en ;
dbo:pubchem "12463"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)Cl)Cl)Cl" ;
dbp:inchikey "GBDZXPJXOMHESU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1234T4ClBen" ;
skos:prefLabel "1,2,3,4-tetrachloorbenzeen"@nl .
csc:YOALFLHFSFEMLP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62525 ;
dbo:casNumber "95328-99-7" , "3825-26-1" , "77751-76-9" ;
dbo:formula "C8H4F15NO2" ;
dbo:inchi "InChI=1S/C8HF15O2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3" ;
dbo:iupacName "azane; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid"@en ;
dbo:pubchem "62525"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.N" ;
dbp:inchikey "YOALFLHFSFEMLP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA_NH4" ;
skos:prefLabel "perfluoroctaanzuur, ammoniumzout"@nl .
csc:GTVWRXDRKAHEAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6537 ;
dbo:casNumber "78-42-2" ;
dbo:formula "C24H51O4P" ;
dbo:inchi "InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3" ;
dbo:iupacName "['Tris(2-ethylhexyl) phosphate', 'tris(2-ethylhexoxy)-hydroxyphosphanium']"@en ;
dbo:pubchem "6537"^^xsd:int ;
dbo:smiles "CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC" ;
dbp:inchikey "GTVWRXDRKAHEAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tris2C2yC6yP" ;
skos:prefLabel "tris(2-ethylhexyl)fosfaat"@nl .
csc:JARYYMUOCXVXNK-CSLFJTBJSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:443629 ;
dbo:casNumber "37248-47-8" ;
dbo:formula "C20H35NO13" ;
dbo:inchi "InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1" ;
dbo:iupacName "(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"@en ;
dbo:pubchem "443629"^^xsd:int ;
dbo:smiles "C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO" ;
dbp:inchikey "JARYYMUOCXVXNK-CSLFJTBJSA-N" ;
skos:broader csc:CHEMONTID_0002207 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "valdmcne" ;
skos:prefLabel "validamycine"@nl .
csc:NKRVGWFEFKCZAP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:62823 ;
dbo:casNumber "27247-96-7" ;
dbo:formula "C8H17NO3" ;
dbo:inchi "InChI=1S/C8H17NO3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3" ;
dbo:iupacName "2-Ethylhexyl nitrate"@en ;
dbo:pubchem "62823"^^xsd:int ;
dbo:smiles "CCCCC(CC)CO[N+](=O)[O-]" ;
dbp:inchikey "NKRVGWFEFKCZAP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6yNO3" ;
skos:prefLabel "2-ethylhexylnitraat"@nl .
csc:CCGPUGMWYLICGL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11145 ;
dbo:casNumber "555-37-3" ;
dbo:formula "C12H16Cl2N2O" ;
dbo:inchi "InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)" ;
dbo:iupacName "1-Butyl-3-(3,4-dichlorophenyl)-1-methylurea"@en ;
dbo:pubchem "11145"^^xsd:int ;
dbo:smiles "CCCCN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "CCGPUGMWYLICGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nebrn" ;
skos:prefLabel "neburon"@nl .
csc:AYIRNRDRBQJXIF-NXEZZACHSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:114811 ;
dbo:casNumber "73231-34-2" , "81588-76-3" , "76639-94-6" ;
dbo:formula "C12H14Cl2FNO4S" ;
dbo:inchi "InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1" ;
dbo:iupacName "2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide"@en ;
dbo:pubchem "114811"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)NC(=O)C(Cl)Cl)O" ;
dbp:inchikey "AYIRNRDRBQJXIF-NXEZZACHSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "florfncl" ;
skos:prefLabel "florfenicol"@nl .
csc:JXSJBGJIGXNWCI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4004 ;
dbo:casNumber "11096-67-6" , "121-75-5" ;
dbo:formula "C10H19O6PS2" ;
dbo:inchi "InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" ;
dbo:iupacName "diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate"@en ;
dbo:pubchem "4004"^^xsd:int ;
dbo:smiles "CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC" ;
dbp:inchikey "JXSJBGJIGXNWCI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:exactMatch wise:CAS_121-75-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malton" ;
skos:prefLabel "malathion"@nl ;
vcs:vmmParameterId "401"^^xsd:int .
csc:YFGYUFNIOHWBOB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31645 ;
dbo:casNumber "23103-98-2" ;
dbo:formula "C11H18N4O2" ;
dbo:inchi "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" ;
dbo:iupacName "(2-dimethylamino-5,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate"@en ;
dbo:pubchem "31645"^^xsd:int ;
dbo:smiles "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" ;
dbp:inchikey "YFGYUFNIOHWBOB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:exactMatch wise:CAS_23103-98-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pirmcb" ;
skos:prefLabel "pirimicarb"@nl ;
vcs:vmmParameterId "802"^^xsd:int .
csc:XTHFKEDIFFGKHM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8071 ;
dbo:casNumber "173201-80-4" , "110-71-4" , "24991-55-7" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" ;
dbo:iupacName "1,2-Dimethoxyethane"@en ;
dbo:pubchem "8071"^^xsd:int ;
dbo:smiles "COCCOC" ;
dbp:inchikey "XTHFKEDIFFGKHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DC1oxC2a" ;
skos:prefLabel "1,2-dimethoxyethaan"@nl .
csc:KVMPUXDNESXNOH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26176 ;
dbo:casNumber "215035-31-7" , "13674-84-5" , "76025-08-6" , "16839-32-0" ;
dbo:formula "C9H18Cl3O4P" ;
dbo:inchi "InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3" ;
dbo:iupacName "tris(1-chloropropan-2-yl) phosphate"@en ;
dbo:pubchem "26176"^^xsd:int ;
dbo:smiles "CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl" ;
dbp:inchikey "KVMPUXDNESXNOH-UHFFFAOYSA-N" ;
skos:altLabel "tris(1-chloor-2-propyl)fosfaat"@nl ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClC3yPO4" ;
skos:prefLabel "tris-(2-chloorisopropyl)-fosfaat"@nl .
csc:SMQMWHHMXSBKEP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3017044 ;
dbo:casNumber "56775-91-8" , "31637-97-5" ;
dbo:formula "C18H19Cl2NO5" ;
dbo:inchi "InChI=1S/C18H18ClNO5.ClH/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13;/h3-9,12H,10-11H2,1-2H3;1H" ;
dbo:iupacName "2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate hydrochloride"@en ;
dbo:pubchem "3017044"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)OCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl.Cl" ;
dbp:inchikey "SMQMWHHMXSBKEP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfbt" ;
skos:prefLabel "etofibraat"@nl .
csc:NWESJZZPAJGHRZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6976 ;
dbo:casNumber "89-60-1" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3" ;
dbo:iupacName "1-Chloro-4-methyl-2-nitrobenzene"@en ;
dbo:pubchem "6976"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "NWESJZZPAJGHRZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl3NO2Tol" ;
skos:prefLabel "4-chloor-3-nitrotolueen"@nl .
csc:YXHKONLOYHBTNS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9550 ;
dbo:casNumber "334-88-3" ;
dbo:formula "CH2N2" ;
dbo:inchi "InChI=1S/CH2N2/c1-3-2/h1H2" ;
dbo:iupacName "DIAZOMETHANE"@en ;
dbo:pubchem "9550"^^xsd:int ;
dbo:smiles "C=[N+]=[N-]" ;
dbp:inchikey "YXHKONLOYHBTNS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003688 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DazC1a" ;
skos:prefLabel "diazomethaan"@nl .
csc:CKAPSXZOOQJIBF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8370 ;
dbo:casNumber "118-74-1" ;
dbo:formula "C6Cl6" ;
dbo:inchi "InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9" ;
dbo:iupacName "1,2,3,4,5,6-hexachlorobenzene"@en ;
dbo:pubchem "8370"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "CKAPSXZOOQJIBF-UHFFFAOYSA-N" ;
skos:altLabel "hexachloorbenzeen (hcb)"@nl ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_118-74-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCB" ;
skos:prefLabel "hexachloorbenzeen"@nl ;
vcs:vmmParameterId "244"^^xsd:int .
csc:QHTQREMOGMZHJV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34192 ;
dbo:casNumber "28249-77-6" ;
dbo:formula "C12H16ClNOS" ;
dbo:inchi "InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "S-[(4-chlorophenyl)methyl] diethylaminomethanethioate"@en ;
dbo:pubchem "34192"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl" ;
dbp:inchikey "QHTQREMOGMZHJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tobcb" ;
skos:prefLabel "thiobencarb"@nl .
csc:ALRLPDGCPYIVHP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:21694 ;
dbo:casNumber "5522-43-0" , "63021-86-3" ;
dbo:formula "C16H9NO2" ;
dbo:inchi "InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H" ;
dbo:iupacName "1-Nitropyrene"@en ;
dbo:pubchem "21694"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-]" ;
dbp:inchikey "ALRLPDGCPYIVHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001851 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1NO2Pyr" ;
skos:prefLabel "1-nitropyreen"@nl .
csc:ZLIBICFPKPWGIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91650 ;
dbo:casNumber "53112-28-0" ;
dbo:formula "C12H13N3" ;
dbo:inchi "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" ;
dbo:iupacName "4,6-dimethyl-N-phenylpyrimidin-2-amine"@en ;
dbo:pubchem "91650"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)NC2=CC=CC=C2)C" ;
dbp:inchikey "ZLIBICFPKPWGIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_53112-28-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrmtnl" ;
skos:prefLabel "pyrimethanil"@nl ;
vcs:vmmParameterId "1037"^^xsd:int .
csc:BYYMILHAKOURNM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19587 ;
dbo:casNumber "3766-60-7" ;
dbo:formula "C12H13ClN2O" ;
dbo:inchi "InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)" ;
dbo:iupacName "1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea"@en ;
dbo:pubchem "19587"^^xsd:int ;
dbo:smiles "CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl" ;
dbp:inchikey "BYYMILHAKOURNM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butrn" ;
skos:prefLabel "buturon"@nl .
csc:RRPCXIBGXYGQNC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20661 ;
dbo:casNumber "4537-15-9" ;
dbo:formula "C17H28" ;
dbo:inchi "InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3" ;
dbo:iupacName "undecan-5-ylbenzene"@en ;
dbo:pubchem "20661"^^xsd:int ;
dbo:smiles "CCCCCCC(CCCC)C1=CC=CC=C1" ;
dbp:inchikey "RRPCXIBGXYGQNC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C4yC7yBen" ;
skos:prefLabel "1-(butylheptyl)-benzeen"@nl .
csc:JBKVHLHDHHXQEQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7768 ;
dbo:casNumber "2953-03-9" , "32838-23-6" , "168214-28-6" , "105-60-2" , "32838-21-4" , "117955-36-9" , "34876-18-1" ;
dbo:formula "C6H11NO" ;
dbo:inchi "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" ;
dbo:iupacName "azepan-2-one"@en ;
dbo:pubchem "7768"^^xsd:int ;
dbo:smiles "C1CCC(=O)NCC1" ;
dbp:inchikey "JBKVHLHDHHXQEQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000163 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ecapltm" ;
skos:prefLabel "epsilon-caprolactam"@nl .
csc:YNVGQYHLRCDXFQ-XGXHKTLJSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5857 ;
dbo:casNumber "52-76-6" ;
dbo:formula "C20H28O" ;
dbo:inchi "InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol"@en ;
dbo:pubchem "5857"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=CCCCC34" ;
dbp:inchikey "YNVGQYHLRCDXFQ-XGXHKTLJSA-N" ;
skos:broader csc:CHEMONTID_0001466 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lyntnl" ;
skos:prefLabel "lynestrenol"@nl .
csc:ZQSIJRDFPHDXIC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5281708 ;
dbo:casNumber "486-66-8" ;
dbo:formula "C15H10O4" ;
dbo:inchi "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H" ;
dbo:iupacName "7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one"@en ;
dbo:pubchem "5281708"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O" ;
dbp:inchikey "ZQSIJRDFPHDXIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "daizine" ;
skos:prefLabel "daidzeine"@nl .
csc:VNKBTWQZTQIWDV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:71482 ;
dbo:casNumber "51274-12-5" , "59217-99-1" , "35575-96-3" ;
dbo:formula "C9H10ClN2O5PS" ;
dbo:inchi "InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3" ;
dbo:iupacName "6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one"@en ;
dbo:pubchem "71482"^^xsd:int ;
dbo:smiles "COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O" ;
dbp:inchikey "VNKBTWQZTQIWDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azmtfs" ;
skos:prefLabel "azamethifos"@nl .
csc:CXNVOWPRHWWCQR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7251 ;
dbo:casNumber "95-69-2" , "87999-30-2" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3" ;
dbo:iupacName "4-Chloro-2-methylaniline"@en ;
dbo:pubchem "7251"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)N" ;
dbp:inchikey "CXNVOWPRHWWCQR-UHFFFAOYSA-N" ;
skos:altLabel "4-chloor-2-methylaniline (p-chloor-o-toluidine)"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2C1yAn" ;
skos:prefLabel "4-chloor-2-methylaniline"@nl .
csc:OMFRMAHOUUJSGP-UNOMPAQXSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5281872 ;
dbo:casNumber "92880-79-0" , "82657-04-3" ;
dbo:formula "C23H22ClF3O2" ;
dbo:inchi "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" ;
dbo:iupacName "['(2-methyl-3-phenylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '(2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate']"@en ;
dbo:pubchem "5281872"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)C3C(C3(C)C)C=C(C(F)(F)F)Cl" ;
dbp:inchikey "OMFRMAHOUUJSGP-UNOMPAQXSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "biftn" ;
skos:prefLabel "bifenthrin"@nl .
csc:WYKYKTKDBLFHCY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15546 ;
dbo:casNumber "1698-60-8" , "58858-18-7" ;
dbo:formula "C10H8ClN3O" ;
dbo:inchi "InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" ;
dbo:iupacName "5-amino-4-chloro-2-phenylpyridazin-3-one"@en ;
dbo:pubchem "15546"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl" ;
dbp:inchikey "WYKYKTKDBLFHCY-UHFFFAOYSA-N" ;
skos:altLabel "chloridazon"@nl ;
skos:broader csc:CHEMONTID_0000208 ;
skos:exactMatch wise:CAS_1698-60-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clidzn" ;
skos:prefLabel "chloridazon (pyrazon)"@nl ;
vcs:vmmParameterId "753"^^xsd:int .
csc:PXUULQAPEKKVAH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67542 ;
dbo:casNumber "307-24-4" ;
dbo:formula "C6HF11O2" ;
dbo:inchi "InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid"@en ;
dbo:pubchem "67542"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "PXUULQAPEKKVAH-UHFFFAOYSA-N" ;
skos:altLabel "perfluorhexaanzuur"@nl , "perfluor-n-hexaanzuur"@nl , "perfluorhexaanzuur (pfhxa)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFHxA" ;
skos:prefLabel "perfluor-n-hexaanzuur (pfhxa)"@nl .
csc:MIZGSAALSYARKU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:92292 ;
dbo:casNumber "155667-06-4" , "33704-61-9" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3" ;
dbo:iupacName "1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one"@en ;
dbo:pubchem "92292"^^xsd:int ;
dbo:smiles "CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C" ;
dbp:inchikey "MIZGSAALSYARKU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004325 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DPMI" ;
skos:prefLabel "cashmeran"@nl .
csc:XMWRBQBLMFGWIX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:123591 ;
dbo:casNumber "99685-96-8" ;
dbo:formula "C60" ;
dbo:inchi "InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59" ;
dbo:iupacName "(C60-Ih)[5,6]fullerene"@en ;
dbo:pubchem "123591"^^xsd:int ;
dbo:smiles "C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23" ;
dbp:inchikey "XMWRBQBLMFGWIX-UHFFFAOYSA-N" ;
skos:altLabel "fullereen C60"@nl ;
skos:broader csc:CHEMONTID_0000518 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fullrnC60" ;
skos:prefLabel "fullereen c60"@nl .
csc:VTLYFUHAOXGGBS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:29936 ;
dbo:casNumber "20074-52-6" ;
dbo:formula "Fe+3" ;
dbo:inchi "InChI=1S/Fe/q+3" ;
dbo:iupacName "iron(+3) cation"@en ;
dbo:pubchem "29936"^^xsd:int ;
dbo:smiles "[Fe+3]" ;
dbp:inchikey "VTLYFUHAOXGGBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeIII" ;
skos:prefLabel "ijzer (driewaardig)"@nl .
csc:YAHNWSSFXMVPOU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:47650 ;
dbo:casNumber "65510-44-3" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H" ;
dbo:iupacName "1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "47650"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl" ;
dbp:inchikey "YAHNWSSFXMVPOU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb 123"@nl , "2,3',4,4',5'-pentachloorbifenyl"@nl , "2',3,4,4',5-pentachloorbifenyl (pcb123)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_65510-44-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB123" ;
skos:prefLabel "PCB 123"@nl ;
vcs:vmmParameterId "1376"^^xsd:int .
csc:OKTJSMMVPCPJKN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5462310 ;
dbo:casNumber "7440-44-0" ;
dbo:formula "C" ;
dbo:inchi "InChI=1S/C" ;
dbo:iupacName "Carbon"@en ;
dbo:pubchem "5462310"^^xsd:int ;
dbo:smiles "[C]" ;
dbp:inchikey "OKTJSMMVPCPJKN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:BOC_versie_2.1 , co:WAC_III_D_050 , co:LUC_IV_011 , co:LUC_IV_012 , co:CMA_2_II_A.7 , co:CMA_1_A.6 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0000000 ;
skos:exactMatch wise:CAS_7440-44-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C" ;
skos:prefLabel "koolstof"@nl ;
vcs:vmmParameterId "1253"^^xsd:int , "1285"^^xsd:int .
csc:JJGYGPZNTOPXGV-SSTWWWIQSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5462507 ;
dbo:casNumber "2784-73-8" ;
dbo:formula "C19H21NO4" ;
dbo:inchi "InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1" ;
dbo:iupacName "[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate"@en ;
dbo:pubchem "5462507"^^xsd:int ;
dbo:smiles "CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C" ;
dbp:inchikey "JJGYGPZNTOPXGV-SSTWWWIQSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6oMactmfne" ;
skos:prefLabel "6-o-monoacetylmorfine"@nl .
csc:WGVWLKXZBUVUAM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16826 ;
dbo:casNumber "2307-68-8" ;
dbo:formula "C13H18ClNO" ;
dbo:inchi "InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)" ;
dbo:iupacName "N-(3-Chloro-4-methylphenyl)-2-methylpentanamide"@en ;
dbo:pubchem "16826"^^xsd:int ;
dbo:smiles "CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl" ;
dbp:inchikey "WGVWLKXZBUVUAM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PenCl" ;
skos:prefLabel "pentanochloor"@nl .
csc:VSHTWPWTCXQLQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14310 ;
dbo:casNumber "1126-78-9" ;
dbo:formula "C10H15N" ;
dbo:inchi "InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3" ;
dbo:iupacName "N-Butylaniline"@en ;
dbo:pubchem "14310"^^xsd:int ;
dbo:smiles "CCCCNC1=CC=CC=C1" ;
dbp:inchikey "VSHTWPWTCXQLQN-UHFFFAOYSA-N" ;
skos:altLabel "N-butylaniline"@nl ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC4yAn" ;
skos:prefLabel "n-butylaniline"@nl .
csc:WEXRUCMBJFQVBZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4737 ;
dbo:casNumber "76-74-4" ;
dbo:formula "C11H18N2O3" ;
dbo:inchi "InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "4737"^^xsd:int ;
dbo:smiles "CCCC(C)C1(C(=O)NC(=O)NC1=O)CC" ;
dbp:inchikey "WEXRUCMBJFQVBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000291 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pentbbtl" ;
skos:prefLabel "pentobarbital"@nl .
csc:HTDJPCNNEPUOOQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10914 ;
dbo:casNumber "541-05-9" ;
dbo:formula "C6H18O3Si3" ;
dbo:inchi "InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3" ;
dbo:iupacName "2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane"@en ;
dbo:pubchem "10914"^^xsd:int ;
dbo:smiles "C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C" ;
dbp:inchikey "HTDJPCNNEPUOOQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004445 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yccTslxn" ;
skos:prefLabel "hexamethylcyclotrisiloxaan"@nl .
csc:CVUGPAFCQJIYDT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13089 ;
dbo:casNumber "58633-26-4" , "789-02-6" ;
dbo:formula "C14H9Cl5" ;
dbo:inchi "InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H" ;
dbo:iupacName "1-chloro-4-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene"@en ;
dbo:pubchem "13089"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl" ;
dbp:inchikey "CVUGPAFCQJIYDT-UHFFFAOYSA-N" ;
skos:altLabel "2,4'-dichloordifenyltrichloorethaan"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_789-02-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DDT" ;
skos:prefLabel "o,p\uFFFD-ddt"@nl ;
vcs:vmmParameterId "257"^^xsd:int .
csc:GPAPPPVRLPGFEQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6625 ;
dbo:casNumber "80-07-9" , "85228-26-8" ;
dbo:formula "C12H8Cl2O2S" ;
dbo:inchi "InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H" ;
dbo:iupacName "1-chloro-4-(4-chlorophenyl)sulfonylbenzene"@en ;
dbo:pubchem "6625"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "GPAPPPVRLPGFEQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DClDFysfn" ;
skos:prefLabel "4,4'-dichloordifenylsulfon"@nl .
csc:JOVOSQBPPZZESK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:60962 ;
dbo:casNumber "100-63-0" , "27140-08-5" , "59-88-1" ;
dbo:formula "C6H9ClN2" ;
dbo:inchi "InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H" ;
dbo:iupacName "PHENYLHYDRAZINE HYDROCHLORIDE"@en ;
dbo:pubchem "60962"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NN.Cl" ;
dbp:inchikey "JOVOSQBPPZZESK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000113 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fyhdzne" ;
skos:prefLabel "fenylhydrazine"@nl .
csc:CUKXSBOAIJILRY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:162181 ;
dbo:casNumber "62572-94-5" ;
dbo:formula "C14H23NO3" ;
dbo:inchi "InChI=1S/C14H23NO3/c1-11(2)15-9-13(17)10-18-14-5-3-12(4-6-14)7-8-16/h3-6,11,13,15-17H,7-10H2,1-2H3" ;
dbo:iupacName "1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "162181"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CCO)O" ;
dbp:inchikey "CUKXSBOAIJILRY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "odC1ymtpll" ;
skos:prefLabel "o-desmethylmetoprolol"@nl .
csc:RZCJYMOBWVJQGV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8422 ;
dbo:casNumber "120-23-0" ;
dbo:formula "C12H10O3" ;
dbo:inchi "InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)" ;
dbo:iupacName "2-naphthalen-2-yloxyacetic acid"@en ;
dbo:pubchem "8422"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)OCC(=O)O" ;
dbp:inchikey "RZCJYMOBWVJQGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NyOxHac" ;
skos:prefLabel "2-nafthyloxyazijnzuur"@nl .
csc:WTLBZVNBAKMVDP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6540 ;
dbo:casNumber "119166-98-2" , "31227-66-4" , "19040-50-7" , "78-51-3" ;
dbo:formula "C18H39O7P" ;
dbo:inchi "InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3" ;
dbo:iupacName "Tris(2-butoxyethyl) phosphate"@en ;
dbo:pubchem "6540"^^xsd:int ;
dbo:smiles "CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC" ;
dbp:inchikey "WTLBZVNBAKMVDP-UHFFFAOYSA-N" ;
skos:altLabel "tris(2-butoxyethyl)fosfaat"@nl ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tris2C4oxC2y" ;
skos:prefLabel "tributoxyethylfosfaat"@nl .
csc:XVOKUMIPKHGGTN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:54740 ;
dbo:casNumber "81335-77-5" ;
dbo:formula "C15H19N3O3" ;
dbo:inchi "InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)" ;
dbo:iupacName "5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid"@en ;
dbo:pubchem "54740"^^xsd:int ;
dbo:smiles "CCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O" ;
dbp:inchikey "XVOKUMIPKHGGTN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imztpr" ;
skos:prefLabel "imazethapyr"@nl .
csc:YLKFDHTUAUWZPQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12130 ;
dbo:casNumber "621-64-7" ;
dbo:formula "C6H14N2O" ;
dbo:inchi "InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3" ;
dbo:iupacName "N,N-dipropylnitrous amide"@en ;
dbo:pubchem "12130"^^xsd:int ;
dbo:smiles "CCCN(CCC)N=O" ;
dbp:inchikey "YLKFDHTUAUWZPQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC3yNOAe" ;
skos:prefLabel "dipropylnitrosamine"@nl .
csc:XXOYNJXVWVNOOJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7560 ;
dbo:casNumber "101-42-8" ;
dbo:formula "C9H12N2O" ;
dbo:inchi "InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)" ;
dbo:iupacName "1,1-Dimethyl-3-phenylurea"@en ;
dbo:pubchem "7560"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=CC=C1" ;
dbp:inchikey "XXOYNJXVWVNOOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenrn" ;
skos:prefLabel "fenuron"@nl .
csc:ORFWYUFLWUWSFM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12588 ;
dbo:casNumber "646-13-9" ;
dbo:formula "C22H44O2" ;
dbo:inchi "InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3" ;
dbo:iupacName "2-Methylpropyl octadecanoate"@en ;
dbo:pubchem "12588"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)OCC(C)C" ;
dbp:inchikey "ORFWYUFLWUWSFM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "IC4ysart" ;
skos:prefLabel "isobutylstearaat"@nl .
csc:TZOVOULUMXXLOJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:66027 ;
dbo:casNumber "103-19-5" ;
dbo:formula "C14H14S2" ;
dbo:inchi "InChI=1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3" ;
dbo:iupacName "1-methyl-4-(4-methylphenyl)disulfanylbenzene"@en ;
dbo:pubchem "66027"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)SSC2=CC=C(C=C2)C" ;
dbp:inchikey "TZOVOULUMXXLOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDFyeDS" ;
skos:prefLabel "dimethyldifenyleendisulfide"@nl .
csc:XUIIKFGFIJCVMT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:853 ;
dbo:casNumber "51-48-9" , "300-30-1" ;
dbo:formula "C15H11I4NO4" ;
dbo:inchi "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)" ;
dbo:iupacName "2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid"@en ;
dbo:pubchem "853"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N" ;
dbp:inchikey "XUIIKFGFIJCVMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "levtrxne" ;
skos:prefLabel "levothyroxine"@nl .
csc:OMOLDRXZKFFGJI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3035207 ;
dbo:casNumber "53380-22-6" ;
dbo:formula "C11H15NO3S" ;
dbo:inchi "InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)" ;
dbo:iupacName "[2-(ethylsulfinylmethyl)phenyl] N-methylcarbamate"@en ;
dbo:pubchem "3035207"^^xsd:int ;
dbo:smiles "CCS(=O)CC1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "OMOLDRXZKFFGJI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etofcbSO" ;
skos:prefLabel "ethiofencarbsulfoxide"@nl .
csc:ICUTUKXCWQYESQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7547 ;
dbo:casNumber "101-20-2" ;
dbo:formula "C13H9Cl3N2O" ;
dbo:inchi "InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)" ;
dbo:iupacName "3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea"@en ;
dbo:pubchem "7547"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "ICUTUKXCWQYESQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tccbn" ;
skos:prefLabel "triclocarban"@nl .
csc:IATXFPUBPMZBPH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11555 ;
dbo:casNumber "591-01-5" , "141-83-3" ;
dbo:formula "C4H14N8O6S" ;
dbo:inchi "InChI=1S/2C2H6N4O.H2O4S/c2*3-1(4)6-2(5)7;1-5(2,3)4/h2*(H6,3,4,5,6,7);(H2,1,2,3,4)" ;
dbo:iupacName "diaminomethylideneurea;sulfuric acid"@en ;
dbo:pubchem "11555"^^xsd:int ;
dbo:smiles "C(=NC(=O)N)(N)N.C(=NC(=O)N)(N)N.OS(=O)(=O)O" ;
dbp:inchikey "IATXFPUBPMZBPH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001180 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "guanurum" ;
skos:prefLabel "guanylureum"@nl .
csc:GZJNBGYLANALSV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17212 ;
dbo:casNumber "2487-01-6" ;
dbo:formula "C13H16N2O6" ;
dbo:inchi "InChI=1S/C13H16N2O6/c1-7-9(14(17)18)6-10(15(19)20)12(21-8(2)16)11(7)13(3,4)5/h6H,1-5H3" ;
dbo:iupacName "(2-tert-butyl-3-methyl-4,6-dinitrophenyl) acetate"@en ;
dbo:pubchem "17212"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)C(C)(C)C" ;
dbp:inchikey "GZJNBGYLANALSV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "medntactt" ;
skos:prefLabel "medinoterbacetaat"@nl .
csc:OCWLYWIFNDCWRZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13357 ;
dbo:casNumber "868-57-5" , "53955-81-0" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3" ;
dbo:iupacName "METHYL 2-METHYLBUTANOATE"@en ;
dbo:pubchem "13357"^^xsd:int ;
dbo:smiles "CCC(C)C(=O)OC" ;
dbp:inchikey "OCWLYWIFNDCWRZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y2C1ybtrt" ;
skos:prefLabel "methyl-2-methylbutyraat"@nl .
csc:NSWAMPCUPHPTTC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:56160 ;
dbo:casNumber "90982-32-4" , "94365-91-0" ;
dbo:formula "C15H15ClN4O6S" ;
dbo:inchi "InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)" ;
dbo:iupacName "ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate"@en ;
dbo:pubchem "56160"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC" ;
dbp:inchikey "NSWAMPCUPHPTTC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chlormrC2y" ;
skos:prefLabel "chlorimuron-ethyl"@nl .
csc:HOXINJBQVZWYGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16683004 ;
dbo:casNumber "13356-08-6" , "57547-75-8" , "12684-28-5" ;
dbo:formula "C60H78OSn2" ;
dbo:inchi "InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;" ;
dbo:iupacName "tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane"@en ;
dbo:pubchem "16683004"^^xsd:int ;
dbo:smiles "CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C2=CC=CC=C2)O[Sn](CC(C)(C)C3=CC=CC=C3)(CC(C)(C)C4=CC=CC=C4)CC(C)(C)C5=CC=CC=C5)C6=CC=CC=C6" ;
dbp:inchikey "HOXINJBQVZWYGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_13356-08-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbtSnO" ;
skos:prefLabel "fenbutatinoxide"@nl ;
vcs:vmmParameterId "692"^^xsd:int .
csc:FROBCXTULYFHEJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86122 ;
dbo:casNumber "111479-05-1" ;
dbo:formula "C22H22ClN3O5" ;
dbo:inchi "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3" ;
dbo:iupacName "2-(propan-2-ylideneamino)oxyethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate"@en ;
dbo:pubchem "86122"^^xsd:int ;
dbo:smiles "CC(C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" ;
dbp:inchikey "FROBCXTULYFHEJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propqzfp" ;
skos:prefLabel "propaquizafop"@nl .
csc:VGVRPFIJEJYOFN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6028 ;
dbo:casNumber "12698-64-5" , "58-90-2" ;
dbo:formula "C6H2Cl4O" ;
dbo:inchi "InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H" ;
dbo:iupacName "2,3,4,6-Tetrachlorophenol"@en ;
dbo:pubchem "6028"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl" ;
dbp:inchikey "VGVRPFIJEJYOFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_58-90-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2346T4ClFol" ;
skos:prefLabel "2,3,4,6-tetrachloorfenol"@nl ;
vcs:vmmParameterId "336"^^xsd:int .
csc:FWFSEYBSWVRWGL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13594 ;
dbo:casNumber "25512-62-3" , "31830-39-4" , "930-68-7" ;
dbo:formula "C6H8O" ;
dbo:inchi "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2" ;
dbo:iupacName "Cyclohex-2-en-1-one"@en ;
dbo:pubchem "13594"^^xsd:int ;
dbo:smiles "C1CC=CC(=O)C1" ;
dbp:inchikey "FWFSEYBSWVRWGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004325 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ccC6e1on" ;
skos:prefLabel "2-cyclohexen-1-on"@nl .
csc:LFNLGNPSGWYGGD-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104958 ;
dbo:casNumber "13968-59-7" ;
dbo:formula "Np" ;
dbo:inchi "InChI=1S/Np/i1+2" ;
dbo:iupacName "neptunium-239"@en ;
dbo:pubchem "104958"^^xsd:int ;
dbo:smiles "[Np]" ;
dbp:inchikey "LFNLGNPSGWYGGD-NJFSPNSNSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Np239" ;
skos:prefLabel "neptunium 239"@nl .
csc:DFBKLUNHFCTMDC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3048 ;
dbo:casNumber "128-10-9" , "72-20-8" , "60-57-1" ;
dbo:formula "C12H8Cl6O" ;
dbo:inchi "InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2" ;
dbo:iupacName "3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene"@en ;
dbo:pubchem "3048"^^xsd:int ;
dbo:smiles "C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "DFBKLUNHFCTMDC-UHFFFAOYSA-N" ;
skos:altLabel "dieldrin"@nl ;
skos:broader csc:CHEMONTID_0001549 ;
skos:exactMatch wise:CAS_72-20-8 , wise:CAS_60-57-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endn" , "dieldn" ;
skos:prefLabel "endrin"@nl ;
vcs:vmmParameterId "235"^^xsd:int , "239"^^xsd:int .
csc:UWSDONTXWQOZFN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7526 ;
dbo:casNumber "100-75-4" , "68374-62-9" ;
dbo:formula "C5H10N2O" ;
dbo:inchi "InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2" ;
dbo:iupacName "1-Nitrosopiperidine"@en ;
dbo:pubchem "7526"^^xsd:int ;
dbo:smiles "C1CCN(CC1)N=O" ;
dbp:inchikey "UWSDONTXWQOZFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002442 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NOpprdne" ;
skos:prefLabel "nitrosopiperidine"@nl .
csc:KWKXNDCHNDYVRT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31237 ;
dbo:casNumber "28776-38-7" , "68442-69-3" , "123-01-3" , "29986-57-0" ;
dbo:formula "C18H30" ;
dbo:inchi "InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3" ;
dbo:iupacName "Dodecylbenzene"@en ;
dbo:pubchem "31237"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCC1=CC=CC=C1" ;
dbp:inchikey "KWKXNDCHNDYVRT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dodcBen" ;
skos:prefLabel "dodecylbenzeen"@nl .
csc:NQQVFXUMIDALNH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15965 ;
dbo:casNumber "1918-02-1" ;
dbo:formula "C6H3Cl3N2O2" ;
dbo:inchi "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" ;
dbo:iupacName "4-Amino-3,5,6-trichloropyridine-2-carboxylic acid"@en ;
dbo:pubchem "15965"^^xsd:int ;
dbo:smiles "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" ;
dbp:inchikey "NQQVFXUMIDALNH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002414 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "picrm" ;
skos:prefLabel "picloram"@nl .
csc:SFYPSBLCFRKKDT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17611 ;
dbo:casNumber "67924-78-1" , "58318-52-8" , "37353-58-5" , "2702-72-9" ;
dbo:formula "C8H5Cl2NaO3" ;
dbo:inchi "InChI=1S/C8H5Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-8(12)4-11;/h1-3H,4H2;/q-1;+1" ;
dbo:iupacName "sodium 2-(2,4-dichlorophenoxy)-2-oxoethanolate"@en ;
dbo:pubchem "17611"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)OC(=O)C[O-].[Na+]" ;
dbp:inchikey "SFYPSBLCFRKKDT-UHFFFAOYSA-N" ;
skos:altLabel "2,4-d natrium zout"@nl ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DNazt" ;
skos:prefLabel "2,4-D natrium zout"@nl .
csc:RUPBZQFQVRMKDG-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23558 ;
dbo:casNumber "126851-24-9" , "7173-51-5" , "154765-32-9" ;
dbo:formula "C22H48ClN" ;
dbo:inchi "InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "didecyl-dimethylazanium chloride"@en ;
dbo:pubchem "23558"^^xsd:int ;
dbo:smiles "CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]" ;
dbp:inchikey "RUPBZQFQVRMKDG-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DDMAC" ;
skos:prefLabel "didecyldimethylammoniumchloride"@nl .
csc:ZNRZGJAHNMGWQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23046 ;
dbo:casNumber "6552-12-1" ;
dbo:formula "C10H15O4PS" ;
dbo:inchi "InChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3" ;
dbo:iupacName "dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate"@en ;
dbo:pubchem "23046"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=O)(OC)OC)SC" ;
dbp:inchikey "ZNRZGJAHNMGWQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentoOon" ;
skos:prefLabel "fenthion-oxon"@nl .
csc:ZQPPMHVWECSIRJ-MDZDMXLPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:637517 ;
dbo:casNumber "112-79-8" , "2027-47-6" , "112-80-1" , "1120-45-2" ;
dbo:formula "C18H34O2" ;
dbo:inchi "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+" ;
dbo:iupacName "['(E)-octadec-9-enoic acid', 'octadec-9-enoic acid']"@en ;
dbo:pubchem "637517"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCC(=O)O" ;
dbp:inchikey "ZQPPMHVWECSIRJ-MDZDMXLPSA-N" ;
skos:altLabel "trans-9-octadeceenzuur"@nl ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "olinzr" , "t9C18ezr" ;
skos:prefLabel "oleinezuur"@nl .
csc:XDDAORKBJWWYJS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3496 ;
dbo:casNumber "1071-83-6" , "40465-66-5" ;
dbo:formula "C3H8NO5P" ;
dbo:inchi "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" ;
dbo:iupacName "2-(phosphonomethylamino)acetic acid"@en ;
dbo:pubchem "3496"^^xsd:int ;
dbo:smiles "C(C(=O)O)NCP(=O)(O)O" ;
dbp:inchikey "XDDAORKBJWWYJS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_A_029 ;
skos:broader csc:CHEMONTID_0000060 ;
skos:exactMatch wise:CAS_1071-83-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glyfst" ;
skos:prefLabel "glyfosaat"@nl ;
vcs:vmmParameterId "763"^^xsd:int .
csc:KZBOXYKTSUUBTO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12075 ;
dbo:casNumber "619-15-8" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "2-Methyl-1,4-dinitrobenzene"@en ;
dbo:pubchem "12075"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "KZBOXYKTSUUBTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DNO2Tol" ;
skos:prefLabel "2,5-dinitrotolueen"@nl .
csc:IIPZYDQGBIWLBU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14994 ;
dbo:casNumber "1420-07-1" ;
dbo:formula "C10H12N2O5" ;
dbo:inchi "InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3" ;
dbo:iupacName "2-tert-Butyl-4,6-dinitrophenol"@en ;
dbo:pubchem "14994"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O" ;
dbp:inchikey "IIPZYDQGBIWLBU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dntb" ;
skos:prefLabel "dinoterb"@nl .
csc:ARXJGSRGQADJSQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7900 ;
dbo:casNumber "58769-19-0" , "107-98-2" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" ;
dbo:iupacName "1-Methoxypropan-2-ol"@en ;
dbo:pubchem "7900"^^xsd:int ;
dbo:smiles "CC(COC)O" ;
dbp:inchikey "ARXJGSRGQADJSQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1oxC3ol" ;
skos:prefLabel "1-methoxy-2-propanol"@nl .
csc:XIUROWKZWPIAIB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19395 ;
dbo:casNumber "3689-24-5" , "8054-28-2" ;
dbo:formula "C8H20O5P2S2" ;
dbo:inchi "InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3" ;
dbo:iupacName "diethoxyphosphinothioyloxy-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "19395"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OP(=S)(OCC)OCC" ;
dbp:inchikey "XIUROWKZWPIAIB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001572 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulftp" ;
skos:prefLabel "sulfotep"@nl .
csc:BTAGRXWGMYTPBY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:38018 ;
dbo:casNumber "38380-07-3" , "11096-82-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "38018"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "BTAGRXWGMYTPBY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB128" ;
skos:prefLabel "2,2',3,3',4,4'-hexachloorbifenyl"@nl .
csc:ANIAQSUBRGXWLS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9477 ;
dbo:casNumber "327-98-0" ;
dbo:formula "C10H12Cl3O2PS" ;
dbo:inchi "InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane"@en ;
dbo:pubchem "9477"^^xsd:int ;
dbo:smiles "CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "ANIAQSUBRGXWLS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClnt" ;
skos:prefLabel "trichloronaat"@nl .
csc:BRLQWZUYTZBJKN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7835 ;
dbo:casNumber "56227-39-5" , "106-89-8" , "9009-12-5" , "13403-37-7" , "6806-86-6" , "36250-81-4" , "109351-74-8" ;
dbo:formula "C3H5ClO" ;
dbo:inchi "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" ;
dbo:iupacName "2-(Chloromethyl)oxirane"@en ;
dbo:pubchem "7835"^^xsd:int ;
dbo:smiles "C1C(O1)CCl" ;
dbp:inchikey "BRLQWZUYTZBJKN-UHFFFAOYSA-N" ;
skos:altLabel "1-chloor-2,3-epoxypropaan(epichloorhydrine)"@nl , "epichloorhydrine"@nl ;
skos:broader csc:CHEMONTID_0000159 ;
skos:exactMatch wise:CAS_106-89-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "epClhdne" ;
skos:prefLabel "1-chloor-2,3-epoxypropaan (epichloorhydrine)"@nl ;
vcs:vmmParameterId "779"^^xsd:int .
csc:NUPJIGQFXCQJBK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86137 ;
dbo:casNumber "182636-13-1" , "114311-32-9" ;
dbo:formula "C15H19N3O4" ;
dbo:inchi "InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)" ;
dbo:iupacName "5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid"@en ;
dbo:pubchem "86137"^^xsd:int ;
dbo:smiles "CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)O)C" ;
dbp:inchikey "NUPJIGQFXCQJBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imzmx" ;
skos:prefLabel "imazamox"@nl .
csc:PMCVMORKVPSKHZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4618 ;
dbo:casNumber "301-12-2" ;
dbo:formula "C6H15O4PS2" ;
dbo:inchi "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" ;
dbo:iupacName "1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane"@en ;
dbo:pubchem "4618"^^xsd:int ;
dbo:smiles "CCS(=O)CCSP(=O)(OC)OC" ;
dbp:inchikey "PMCVMORKVPSKHZ-UHFFFAOYSA-N" ;
skos:altLabel "oxydemeton-methyl"@nl ;
skos:broader csc:CHEMONTID_0000491 ;
skos:exactMatch wise:CAS_301-12-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yOxdmtn" ;
skos:prefLabel "methyloxydemeton"@nl ;
vcs:vmmParameterId "404"^^xsd:int .
csc:CLQMBPJKHLGMQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:54738 ;
dbo:casNumber "81334-34-1" , "108224-78-8" , "94795-74-1" ;
dbo:formula "C13H15N3O3" ;
dbo:inchi "InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)" ;
dbo:iupacName "2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid"@en ;
dbo:pubchem "54738"^^xsd:int ;
dbo:smiles "CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C" ;
dbp:inchikey "CLQMBPJKHLGMQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imzpr" ;
skos:prefLabel "imazapyr"@nl .
csc:NHDHVHZZCFYRSB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91753 ;
dbo:casNumber "126040-81-1" , "95737-68-1" ;
dbo:formula "C20H19NO3" ;
dbo:inchi "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" ;
dbo:iupacName "2-[1-[4-(phenoxy)phenoxy]propan-2-yloxy]pyridine"@en ;
dbo:pubchem "91753"^^xsd:int ;
dbo:smiles "CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3" ;
dbp:inchikey "NHDHVHZZCFYRSB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrpxfn" ;
skos:prefLabel "pyriproxyfen"@nl .
csc:UKMSUNONTOPOIO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8215 ;
dbo:casNumber "112-85-6" , "16529-65-0" ;
dbo:formula "C22H44O2" ;
dbo:inchi "InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)" ;
dbo:iupacName "Docosanoic acid"@en ;
dbo:pubchem "8215"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "UKMSUNONTOPOIO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C22azr" ;
skos:prefLabel "docosaanzuur"@nl .
csc:CMSMOCZEIVJLDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2907 ;
dbo:casNumber "60007-95-6" , "60030-72-0" , "60007-96-7" , "50-18-0" , "75526-90-8" ;
dbo:formula "C7H15Cl2N2O2P" ;
dbo:inchi "InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)" ;
dbo:iupacName "['(2S)-N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,N-bis(2-chloroethyl)-2-hydroxy-1,3,2-oxazaphosphinan-2-ium-2-amine', '(2R)-N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine']"@en ;
dbo:pubchem "2907"^^xsd:int ;
dbo:smiles "C1CNP(=O)(OC1)N(CCCl)CCCl" ;
dbp:inchikey "CMSMOCZEIVJLDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000398 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycffAd" ;
skos:prefLabel "cyclofosfamide"@nl .
csc:AFZSMODLJJCVPP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8447 ;
dbo:casNumber "120-78-5" , "109767-80-8" ;
dbo:formula "C14H8N2S4" ;
dbo:inchi "InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H" ;
dbo:iupacName "2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole"@en ;
dbo:pubchem "8447"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3" ;
dbp:inchikey "AFZSMODLJJCVPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DbztazDS" ;
skos:prefLabel "2,2-dibenzothiazyldisulfide"@nl .
csc:WMXCDAVJEZZYLT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6387 ;
dbo:casNumber "3374-16-1" , "75-66-1" , "16528-55-5" ;
dbo:formula "C4H10S" ;
dbo:inchi "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3" ;
dbo:iupacName "2-Methylpropane-2-thiol"@en ;
dbo:pubchem "6387"^^xsd:int ;
dbo:smiles "CC(C)(C)S" ;
dbp:inchikey "WMXCDAVJEZZYLT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y2C3atol" ;
skos:prefLabel "2-methyl-2-propaanthiol"@nl .
csc:YVPSNUIHHFTTRL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17425 ;
dbo:casNumber "2588-04-7" ;
dbo:formula "C7H17O4PS3" ;
dbo:inchi "InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3" ;
dbo:iupacName "diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "17425"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCS(=O)(=O)CC" ;
dbp:inchikey "YVPSNUIHHFTTRL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "forsfn" ;
skos:prefLabel "foraat-sulfon"@nl .
csc:QBEXFUOWUYCXNI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19730 ;
dbo:casNumber "3861-47-0" ;
dbo:formula "C15H17I2NO2" ;
dbo:inchi "InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3" ;
dbo:iupacName "(4-cyano-2,6-diiodophenyl) octanoate"@en ;
dbo:pubchem "19730"^^xsd:int ;
dbo:smiles "CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I" ;
dbp:inchikey "QBEXFUOWUYCXNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ioxnOcnat" ;
skos:prefLabel "ioxynil octanoaat"@nl .
csc:UPMLOUAZCHDJJD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7570 ;
dbo:casNumber "65916-89-4" , "55157-41-0" , "97568-33-7" , "12125-47-2" , "156580-59-5" , "26447-40-5" , "77090-48-3" , "142690-07-1" , "101-68-8" , "201528-77-0" , "57460-66-9" , "88001-94-9" , "53633-14-0" , "153986-89-1" , "28515-38-0" ;
dbo:formula "C15H10N2O2" ;
dbo:inchi "InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2" ;
dbo:iupacName "1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene"@en ;
dbo:pubchem "7570"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O" ;
dbp:inchikey "UPMLOUAZCHDJJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44C1yeDFyDiC" ;
skos:prefLabel "4,4'-methyleendifenyldiisocyanaat"@nl .
csc:JYRXPFCUABYLPD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12704 ;
dbo:casNumber "686-07-7" ;
dbo:formula "C6H13NS2" ;
dbo:inchi "InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3" ;
dbo:iupacName "methyl diethylaminomethanedithioate"@en ;
dbo:pubchem "12704"^^xsd:int ;
dbo:smiles "CCN(CC)C(=S)SC" ;
dbp:inchikey "JYRXPFCUABYLPD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003936 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yDC2yDtocb" ;
skos:prefLabel "methyl diethyldithiocarbamaat"@nl .
csc:DJKGDNKYTKCJKD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8266 ;
dbo:casNumber "7374-78-9" , "5343-97-5" , "115-28-6" ;
dbo:formula "C9H4Cl6O4" ;
dbo:inchi "InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)" ;
dbo:iupacName "1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid"@en ;
dbo:pubchem "8266"^^xsd:int ;
dbo:smiles "C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O" ;
dbp:inchikey "DJKGDNKYTKCJKD-UHFFFAOYSA-N" ;
skos:altLabel "HETzuur"@nl ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HETzr" ;
skos:prefLabel "hetzuur"@nl .
csc:CPJSUEIXXCENMM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4754 ;
dbo:casNumber "62-44-2" ;
dbo:formula "C10H13NO2" ;
dbo:inchi "InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)" ;
dbo:iupacName "N-(4-Ethoxyphenyl)acetamide"@en ;
dbo:pubchem "4754"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)NC(=O)C" ;
dbp:inchikey "CPJSUEIXXCENMM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001846 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenctne" ;
skos:prefLabel "fenacitine"@nl .
csc:LPLLVINFLBSFRP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1576 ;
dbo:casNumber "28521-94-0" , "5650-44-2" ;
dbo:formula "C10H13NO" ;
dbo:inchi "InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3" ;
dbo:iupacName "2-methylamino-1-phenylpropan-1-one"@en ;
dbo:pubchem "1576"^^xsd:int ;
dbo:smiles "CC(C(=O)C1=CC=CC=C1)NC" ;
dbp:inchikey "LPLLVINFLBSFRP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metcinn" ;
skos:prefLabel "methcathinon"@nl .
csc:LYCAIKOWRPUZTN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:174 ;
dbo:casNumber "37221-95-7" , "37225-26-6" , "2219-51-4" , "25322-68-3" , "71767-64-1" , "107-21-1" ;
dbo:formula "C2H6O2" ;
dbo:inchi "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" ;
dbo:iupacName "Ethane-1,2-diol"@en ;
dbo:pubchem "174"^^xsd:int ;
dbo:smiles "C(CO)O" ;
dbp:inchikey "LYCAIKOWRPUZTN-UHFFFAOYSA-N" ;
skos:altLabel "ethyleenglycol"@nl , "glycol (monoethyleenglycol)"@nl , "ethyleenglycol "@nl ;
skos:broader csc:CHEMONTID_0002467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycl" ;
skos:prefLabel "polyethyleenglycol"@nl .
csc:DMDPGPKXQDIQQG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:70931 ;
dbo:casNumber "1191-87-3" ;
dbo:formula "C12H26O6" ;
dbo:inchi "InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3" ;
dbo:iupacName "1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane"@en ;
dbo:pubchem "70931"^^xsd:int ;
dbo:smiles "COCCOCCOCCOCCOCCOC" ;
dbp:inchikey "DMDPGPKXQDIQQG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Peglyme" ;
skos:prefLabel "pentaglyme"@nl .
csc:AERGGMDNGDDGPI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:140640 ;
dbo:casNumber "20071-09-4" ;
dbo:formula "C16H16" ;
dbo:inchi "InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2" ;
dbo:iupacName "(2-Phenylcyclobutyl)benzene"@en ;
dbo:pubchem "140640"^^xsd:int ;
dbo:smiles "C1CC(C1C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "AERGGMDNGDDGPI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t12DFyccC4a" ;
skos:prefLabel "trans-1,2-difenylcyclobutaan"@nl .
csc:CYQFCXCEBYINGO-IAGOWNOFSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16078 ;
dbo:casNumber "1972-08-3" , "5957-27-7" , "14146-29-3" , "26108-45-2" , "14146-43-1" , "1363-19-5" , "6465-30-1" ;
dbo:formula "C21H30O2" ;
dbo:inchi "InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1" ;
dbo:iupacName "(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol"@en ;
dbo:pubchem "16078"^^xsd:int ;
dbo:smiles "CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O" ;
dbp:inchikey "CYQFCXCEBYINGO-IAGOWNOFSA-N" ;
skos:broader csc:CHEMONTID_0003522 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Thcannbnl" ;
skos:prefLabel "tetrahydrocannabinol"@nl .
csc:LRBQNJMCXXYXIU-PPKXGCFTSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16129778 ;
dbo:casNumber "5424-20-4" ;
dbo:formula "C76H52O46" ;
dbo:inchi "InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1" ;
dbo:iupacName "[2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate"@en ;
dbo:pubchem "16129778"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O" ;
dbp:inchikey "LRBQNJMCXXYXIU-PPKXGCFTSA-N" ;
skos:broader csc:CHEMONTID_0001710 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tannne" ;
skos:prefLabel "tannine"@nl .
csc:OROGSEYTTFOCAN-DNJOTXNNSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5284371 ;
dbo:casNumber "76-57-3" ;
dbo:formula "C18H21NO3" ;
dbo:inchi "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1" ;
dbo:iupacName "(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol"@en ;
dbo:pubchem "5284371"^^xsd:int ;
dbo:smiles "CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O" ;
dbp:inchikey "OROGSEYTTFOCAN-DNJOTXNNSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "codine" ;
skos:prefLabel "codeine"@nl .
csc:XAMUDJHXFNRLCY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17435 ;
dbo:casNumber "61391-87-5" , "61362-00-3" , "2597-03-7" , "61361-99-7" ;
dbo:formula "C12H17O4PS2" ;
dbo:inchi "InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3" ;
dbo:iupacName "ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate"@en ;
dbo:pubchem "17435"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC" ;
dbp:inchikey "XAMUDJHXFNRLCY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentat" ;
skos:prefLabel "fenthoaat"@nl .
csc:QYHFIVBSNOWOCQ-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26473 ;
dbo:casNumber "14124-68-6" ;
dbo:formula "O4Se-2" ;
dbo:inchi "InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2" ;
dbo:iupacName "selenate"@en ;
dbo:pubchem "26473"^^xsd:int ;
dbo:smiles "[O-][Se](=O)(=O)[O-]" ;
dbp:inchikey "QYHFIVBSNOWOCQ-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001075 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SeO4" ;
skos:prefLabel "selenaat"@nl .
csc:WPYMKLBDIGXBTP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:243 ;
dbo:casNumber "65-85-0" , "8013-63-6" ;
dbo:formula "C7H6O2" ;
dbo:inchi "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" ;
dbo:iupacName "benzoic acid"@en ;
dbo:pubchem "243"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)O" ;
dbp:inchikey "WPYMKLBDIGXBTP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzezr" ;
skos:prefLabel "benzoezuur"@nl .
csc:QDQHWKZZJJDBND-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:60971 ;
dbo:casNumber "8007-36-1" , "78-21-7" ;
dbo:formula "C24H51NO5S" ;
dbo:inchi "InChI=1S/C22H46NO.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4-2)19-21-24-22-20-23;1-2-6-7(3,4)5/h3-22H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1" ;
dbo:iupacName "4-ethyl-4-hexadecylmorpholin-4-ium; ethyl sulfate"@en ;
dbo:pubchem "60971"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+]1(CCOCC1)CC.CCOS(=O)(=O)[O-]" ;
dbp:inchikey "QDQHWKZZJJDBND-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000392 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2y4C6ymfln" ;
skos:prefLabel "4-ethyl-4-hexadecylmorpholiniumethylsulfaat"@nl .
csc:FPWNLURCHDRMHC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16323 ;
dbo:casNumber "2051-62-9" ;
dbo:formula "C12H9Cl" ;
dbo:inchi "InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H" ;
dbo:iupacName "1-chloro-4-phenylbenzene"@en ;
dbo:pubchem "16323"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "FPWNLURCHDRMHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB3" ;
skos:prefLabel "4-chloorbifenyl"@nl .
csc:WXZVAROIGSFCFJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27189 ;
dbo:casNumber "15299-99-7" ;
dbo:formula "C17H21NO2" ;
dbo:inchi "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" ;
dbo:iupacName "N,N-diethyl-2-naphthalen-1-yloxypropanamide"@en ;
dbo:pubchem "27189"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21" ;
dbp:inchikey "WXZVAROIGSFCFJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nappAd" ;
skos:prefLabel "napropamide"@nl .
csc:DKCPKDPYUFEZCP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31405 ;
dbo:casNumber "50356-17-7" , "128-39-2" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3" ;
dbo:iupacName "2,6-ditert-butylphenol"@en ;
dbo:pubchem "31405"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O" ;
dbp:inchikey "DKCPKDPYUFEZCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DttC4yFol" ;
skos:prefLabel "2,6-di-tert-butylfenol"@nl .
csc:SEOVTRFCIGRIMH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:802 ;
dbo:casNumber "54692-39-6" , "87-51-4" , "6305-45-9" ;
dbo:formula "C10H9NO2" ;
dbo:inchi "InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)" ;
dbo:iupacName "2-(1H-indol-3-yl)acetic acid"@en ;
dbo:pubchem "802"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=CN2)CC(=O)O" ;
dbp:inchikey "SEOVTRFCIGRIMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001252 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indlHAc" ;
skos:prefLabel "indolylazijnzuur"@nl .
csc:SDKQRNRRDYRQKY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23421 ;
dbo:casNumber "6988-21-2" ;
dbo:formula "C11H13NO4" ;
dbo:inchi "InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)" ;
dbo:iupacName "[2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate"@en ;
dbo:pubchem "23421"^^xsd:int ;
dbo:smiles "CNC(=O)OC1=CC=CC=C1C2OCCO2" ;
dbp:inchikey "SDKQRNRRDYRQKY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DOacb" ;
skos:prefLabel "dioxacarb"@nl .
csc:DIRFUJHNVNOBMY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:19588 ;
dbo:casNumber "3766-81-2" , "12773-35-2" , "145846-59-9" ;
dbo:formula "C12H17NO2" ;
dbo:inchi "InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)" ;
dbo:iupacName "(2-butan-2-ylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "19588"^^xsd:int ;
dbo:smiles "CCC(C)C1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "DIRFUJHNVNOBMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbcb" ;
skos:prefLabel "fenobucarb"@nl .
csc:AIGRXSNSLVJMEA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16421 ;
dbo:casNumber "65580-79-2" , "2104-64-5" , "65580-80-5" ;
dbo:formula "C14H14NO4PS" ;
dbo:inchi "InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3" ;
dbo:iupacName "ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "16421"^^xsd:int ;
dbo:smiles "CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]" ;
dbp:inchikey "AIGRXSNSLVJMEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004767 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EPN" ;
skos:prefLabel "ethyl-p-nitrofenylthiobenzeenfosfonaat"@nl .
csc:JHJOOSLFWRRSGU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9298 ;
dbo:casNumber "299-84-3" ;
dbo:formula "C8H8Cl3O3PS" ;
dbo:inchi "InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3" ;
dbo:iupacName "dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane"@en ;
dbo:pubchem "9298"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "JHJOOSLFWRRSGU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_299-84-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenClfs" ;
skos:prefLabel "fenchloorfos"@nl ;
vcs:vmmParameterId "1078"^^xsd:int .
csc:YEIHPPOCKIHUQJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9144 ;
dbo:casNumber "203-12-3" ;
dbo:formula "C18H10" ;
dbo:inchi "InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H" ;
dbo:iupacName "pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene"@en ;
dbo:pubchem "9144"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C4=CC=CC5=C4C3=C(C=C2)C=C5" ;
dbp:inchikey "YEIHPPOCKIHUQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BghiF" ;
skos:prefLabel "benzo(ghi)fluorantheen"@nl .
csc:GKKDCARASOJPNG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61021 ;
dbo:casNumber "108-62-3" ;
dbo:formula "C8H16O4" ;
dbo:inchi "InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" ;
dbo:iupacName "2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane"@en ;
dbo:pubchem "61021"^^xsd:int ;
dbo:smiles "CC1OC(OC(OC(O1)C)C)C" ;
dbp:inchikey "GKKDCARASOJPNG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001656 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mAh" ;
skos:prefLabel "metaldehyde"@nl .
csc:RPNUMPOLZDHAAY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8111 ;
dbo:casNumber "111-40-0" , "54018-92-7" , "26915-78-6" , "94700-17-1" , "73989-30-7" , "8076-55-9" , "53303-76-7" , "98824-35-2" , "59135-90-9" ;
dbo:formula "C4H13N3" ;
dbo:inchi "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2" ;
dbo:iupacName "N-(2-aminoethyl)ethane-1,2-diamine"@en ;
dbo:pubchem "8111"^^xsd:int ;
dbo:smiles "C(CNCCN)N" ;
dbp:inchikey "RPNUMPOLZDHAAY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yeTAe" ;
skos:prefLabel "diethyleentriamine"@nl .
csc:AGIMOOYNBDLMJV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:120228 ;
dbo:casNumber "377-73-1" ;
dbo:formula "C4HF7O3" ;
dbo:inchi "InChI=1S/C4HF7O3/c5-2(6,1(12)13)3(7,8)14-4(9,10)11/h(H,12,13)" ;
dbo:iupacName "2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoic acid"@en ;
dbo:pubchem "120228"^^xsd:int ;
dbo:smiles "C(=O)(C(C(OC(F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "AGIMOOYNBDLMJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFMOPrA" ;
skos:prefLabel "perfluor-3-methoxypropaanzuur"@nl .
csc:YXISVHDWGVMPGJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:156477 ;
dbo:casNumber "74367-33-2" ;
dbo:formula "C12H24O3" ;
dbo:inchi "InChI=1S/C12H24O3/c1-8(2)11(14)15-10(9(3)7-13)12(4,5)6/h8-10,13H,7H2,1-6H3" ;
dbo:iupacName "(1-hydroxy-2,4,4-trimethylpentan-3-yl) 2-methylpropanoate"@en ;
dbo:pubchem "156477"^^xsd:int ;
dbo:smiles "CC(C)C(=O)OC(C(C)CO)C(C)(C)C" ;
dbp:inchikey "YXISVHDWGVMPGJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1HOx244TC1y3" ;
skos:prefLabel "1-hydroxy-2,4,4-trimethyl-3-pentanyl 2-methylpropanoaat"@nl .
csc:YSIIVKXVQXRKAN-LRAZUDBQSA-J
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9570322 ;
dbo:casNumber "16071-86-6" , "76199-83-2" , "39403-88-8" , "58601-87-9" , "10300-74-0" ;
dbo:formula "C31H18CuN6Na2O9S" ;
dbo:inchi "InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,33,36,38-39H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4/b34-32?,35-24+,37-29-;;;" ;
dbo:iupacName "copper disodium 2-oxido-5-[4-[4-[(2Z)-2-[(5E)-5-[(2-oxido-5-sulfonatophenyl)hydrazinylidene]-2,6-dioxo-1-cyclohex-3-enylidene]hydrazinyl]phenyl]phenyl]diazenylbenzoate"@en ;
dbo:pubchem "9570322"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)[O-])C(=O)[O-])NN=C4C(=O)C=CC(=NNC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])C4=O.[Na+].[Na+].[Cu+2]" ;
dbp:inchikey "YSIIVKXVQXRKAN-LRAZUDBQSA-J" ;
skos:altLabel "C.I. Direct Brown 95"@nl ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cidbn95" ;
skos:prefLabel "c.i. direct brown 95"@nl .
csc:GBHCABUWWQUMAJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8017 ;
dbo:casNumber "109-84-2" ;
dbo:formula "C2H8N2O" ;
dbo:inchi "InChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2" ;
dbo:iupacName "2-hydrazinylethanol"@en ;
dbo:pubchem "8017"^^xsd:int ;
dbo:smiles "C(CO)NN" ;
dbp:inchikey "GBHCABUWWQUMAJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxC2yhdzne" ;
skos:prefLabel "2-hydroxyethylhydrazine"@nl .
csc:JOLQKTGDSGKSKJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15287 ;
dbo:casNumber "1569-02-4" ;
dbo:formula "C5H12O2" ;
dbo:inchi "InChI=1S/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "1-Ethoxypropan-2-ol"@en ;
dbo:pubchem "15287"^^xsd:int ;
dbo:smiles "CCOCC(C)O" ;
dbp:inchikey "JOLQKTGDSGKSKJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2ox2C3ol" ;
skos:prefLabel "1-ethoxy-2-propanol"@nl .
csc:NQBXSWAWVZHKBZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8160 ;
dbo:casNumber "112-07-2" ;
dbo:formula "C8H16O3" ;
dbo:inchi "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" ;
dbo:iupacName "2-Butoxyethyl acetate"@en ;
dbo:pubchem "8160"^^xsd:int ;
dbo:smiles "CCCCOCCOC(=O)C" ;
dbp:inchikey "NQBXSWAWVZHKBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4oxC2yactt" ;
skos:prefLabel "2-butoxyethylacetaat"@nl .
csc:LXQXZNRPTYVCNG-BJUDXGSMSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:166958 ;
dbo:casNumber "13981-54-9" ;
dbo:formula "Am" ;
dbo:inchi "InChI=1S/Am/i1-1" ;
dbo:iupacName "americium-242"@en ;
dbo:pubchem "166958"^^xsd:int ;
dbo:smiles "[Am]" ;
dbp:inchikey "LXQXZNRPTYVCNG-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Am242" ;
skos:prefLabel "americium 242"@nl .
csc:PWHULOQIROXLJO-OIOBTWANSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115131 ;
dbo:casNumber "14092-99-0" ;
dbo:formula "Mn" ;
dbo:inchi "InChI=1S/Mn/i1-3" ;
dbo:iupacName "manganese-52"@en ;
dbo:pubchem "115131"^^xsd:int ;
dbo:smiles "[Mn]" ;
dbp:inchikey "PWHULOQIROXLJO-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mn52" ;
skos:prefLabel "mangaan 52"@nl .
csc:BHZWBQPHPLFZSV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62119 ;
dbo:casNumber "56634-95-8" ;
dbo:formula "C14H15Br2NO2" ;
dbo:inchi "InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3" ;
dbo:iupacName "(2,6-dibromo-4-cyanophenyl) heptanoate"@en ;
dbo:pubchem "62119"^^xsd:int ;
dbo:smiles "CCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br" ;
dbp:inchikey "BHZWBQPHPLFZSV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrOxnHpnat" ;
skos:prefLabel "bromoxynil heptanoaat"@nl .
csc:CEOCDNVZRAIOQZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11855 ;
dbo:casNumber "608-93-5" ;
dbo:formula "C6HCl5" ;
dbo:inchi "InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H" ;
dbo:iupacName "1,2,3,4,5-Pentachlorobenzene"@en ;
dbo:pubchem "11855"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "CEOCDNVZRAIOQZ-UHFFFAOYSA-N" ;
skos:altLabel "pentachloorbenzeen"@nl ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_608-93-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClBen" ;
skos:prefLabel "pentachloorben-zeen"@nl ;
vcs:vmmParameterId "756"^^xsd:int .
csc:MTHSVFCYNBDYFN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8117 ;
dbo:casNumber "4669-26-5" , "111-46-6" ;
dbo:formula "C4H10O3" ;
dbo:inchi "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" ;
dbo:iupacName "2-(2-Hydroxyethoxy)ethanol"@en ;
dbo:pubchem "8117"^^xsd:int ;
dbo:smiles "C(COCCO)O" ;
dbp:inchikey "MTHSVFCYNBDYFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yegcl" ;
skos:prefLabel "diethyleenglycol"@nl .
csc:BZNDWPRGXNILMS-CLFYSBASSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6434101 ;
dbo:casNumber "31218-83-4" ;
dbo:formula "C10H20NO4PS" ;
dbo:inchi "InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7-" ;
dbo:iupacName "propan-2-yl (Z)-3-(ethylamino-methoxyphosphinothioyl)oxybut-2-enoate"@en ;
dbo:pubchem "6434101"^^xsd:int ;
dbo:smiles "CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C" ;
dbp:inchikey "BZNDWPRGXNILMS-CLFYSBASSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "proptfs" ;
skos:prefLabel "propetamfos"@nl .
csc:AFCAKJKUYFLYFK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15098 ;
dbo:casNumber "1461-25-2" ;
dbo:formula "C16H36Sn" ;
dbo:inchi "InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;" ;
dbo:iupacName "Tetrabutylstannane"@en ;
dbo:pubchem "15098"^^xsd:int ;
dbo:smiles "CCCC[Sn](CCCC)(CCCC)CCCC" ;
dbp:inchikey "AFCAKJKUYFLYFK-UHFFFAOYSA-N" ;
skos:altLabel "tetrabutyltin (tebt)"@nl ;
skos:broader csc:CHEMONTID_0004347 ;
skos:exactMatch wise:CAS_1461-25-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C4ySn" ;
skos:prefLabel "tetrabutyltin"@nl ;
vcs:vmmParameterId "410"^^xsd:int .
csc:GFNANZIMVAIWHM-OBYCQNJPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31307 ;
dbo:casNumber "83474-03-7" , "124-94-7" ;
dbo:formula "C21H27FO6" ;
dbo:inchi "InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "31307"^^xsd:int ;
dbo:smiles "CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O" ;
dbp:inchikey "GFNANZIMVAIWHM-OBYCQNJPSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tacnln" ;
skos:prefLabel "triamcinolon"@nl .
csc:WUOBERCRSABHOT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'Sb'"@nl , "VLAR III (D3) 'antimoon'"@nl , "VLAR II bijl. 4.4.2 'antimoon en zijn verbindingen, uitgedrukt in Sb'"@nl , "VLAR II (D5) 'antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)' en 'antimoon en antimoonverbindingen, uitgedrukt als Sb'"@nl , "VLAR III (D3) 'antimoon en antimoonverbindingen, uitgedrukt in Antimoon (Sb)'"@nl ;
rdfs:seeAlso compound:23967 ;
dbo:casNumber "7440-36-0" , "73063-67-9" , "117011-47-9" ;
dbo:formula "Sb2" ;
dbo:inchi "InChI=1S/2Sb" ;
dbo:iupacName "stibanylidynestibane"@en ;
dbo:pubchem "23967"^^xsd:int ;
dbo:smiles "[Sb]#[Sb]" ;
dbp:inchikey "WUOBERCRSABHOT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "Antimoon (Sb)"@nl , "antimoon"@nl , "antimoon, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:definition "antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)"@nl ;
skos:exactMatch wise:CAS_7440-36-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb" ;
skos:prefLabel "antimoon (sb)"@nl ;
vcs:vmmParameterId "132"^^xsd:int , "1964"^^xsd:int , "133"^^xsd:int , "134"^^xsd:int .
csc:UDPGUMQDCGORJQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27982 ;
dbo:casNumber "73020-07-2" , "16672-87-0" , "82375-49-3" ;
dbo:formula "C2H6ClO3P" ;
dbo:inchi "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" ;
dbo:iupacName "2-Chloroethylphosphonic acid"@en ;
dbo:pubchem "27982"^^xsd:int ;
dbo:smiles "C(CCl)P(=O)(O)O" ;
dbp:inchikey "UDPGUMQDCGORJQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001302 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfn" ;
skos:prefLabel "ethefon"@nl .
csc:ZCUFMDLYAMJYST-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14808 ;
dbo:casNumber "8006-33-5" , "1314-20-1" , "34321-99-8" ;
dbo:formula "O2Th" ;
dbo:inchi "InChI=1S/2O.Th" ;
dbo:iupacName "dioxothorium"@en ;
dbo:pubchem "14808"^^xsd:int ;
dbo:smiles "O=[Th]=O" ;
dbp:inchikey "ZCUFMDLYAMJYST-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000522 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ThDO" ;
skos:prefLabel "thoriumdioxide"@nl .
csc:FGKJLKRYENPLQH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12587 ;
dbo:casNumber "1866-94-0" , "1331-16-4" , "646-07-1" , "38784-67-7" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)" ;
dbo:iupacName "4-Methylpentanoic acid"@en ;
dbo:pubchem "12587"^^xsd:int ;
dbo:smiles "CC(C)CCC(=O)O" ;
dbp:inchikey "FGKJLKRYENPLQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003544 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yvlrazr" ;
skos:prefLabel "4-methylvaleriaanzuur"@nl .
csc:GNHMRTZZNHZDDM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10963 ;
dbo:casNumber "542-76-7" , "2003-31-8" ;
dbo:formula "C3H4ClN" ;
dbo:inchi "InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2" ;
dbo:iupacName "['3-chloroprop-2-ynenitrile', '3-Chloropropanenitrile']"@en ;
dbo:pubchem "10963"^^xsd:int ;
dbo:smiles "C(CCl)C#N" ;
dbp:inchikey "GNHMRTZZNHZDDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClC3antl" ;
skos:prefLabel "3-chloorpropaannitril"@nl .
csc:MQOBSOSZFYZQOK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:64929 ;
dbo:casNumber "42017-89-0" ;
dbo:formula "C17H15ClO4" ;
dbo:inchi "InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)" ;
dbo:iupacName "2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid"@en ;
dbo:pubchem "64929"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "MQOBSOSZFYZQOK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenfbnzr" ;
skos:prefLabel "fenofibrinezuur"@nl .
csc:UETHPMGVZHBAFB-OWOJBTEDSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5282251 ;
dbo:casNumber "128-42-7" ;
dbo:formula "C14H10N2O10S2" ;
dbo:inchi "InChI=1S/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)/b2-1+" ;
dbo:iupacName "['5-nitro-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid', '5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid']"@en ;
dbo:pubchem "5282251"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O" ;
dbp:inchikey "UETHPMGVZHBAFB-OWOJBTEDSA-N" ;
skos:broader csc:CHEMONTID_0004785 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DNO2sb22Ds" ;
skos:prefLabel "4,4'-dinitrostilbeen-2,2'-disulfonzuur"@nl .
csc:ZZVUWRFHKOJYTH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3100 ;
dbo:casNumber "58-73-1" ;
dbo:formula "C17H21NO" ;
dbo:inchi "InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3" ;
dbo:iupacName "2-[di(phenyl)methoxy]-N,N-dimethylethanamine"@en ;
dbo:pubchem "3100"^^xsd:int ;
dbo:smiles "CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2" ;
dbp:inchikey "ZZVUWRFHKOJYTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfhdmne" ;
skos:prefLabel "difenhydramine"@nl .
csc:QYIYFLOTGYLRGG-GPCCPHFNSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:51039 ;
dbo:casNumber "53994-73-3" ;
dbo:formula "C15H14ClN3O4S" ;
dbo:inchi "InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1" ;
dbo:iupacName "(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "51039"^^xsd:int ;
dbo:smiles "C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl" ;
dbp:inchikey "QYIYFLOTGYLRGG-GPCCPHFNSA-N" ;
skos:broader csc:CHEMONTID_0001189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefcr" ;
skos:prefLabel "cefaclor"@nl .
csc:LXMQMMSGERCRSU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91600 ;
dbo:casNumber "31251-03-3" ;
dbo:formula "C22H16F3N3" ;
dbo:inchi "InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H" ;
dbo:iupacName "1-[di(phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "91600"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC(=CC=C3)C(F)(F)F)N4C=NC=N4" ;
dbp:inchikey "LXMQMMSGERCRSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004524 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fltmzl" ;
skos:prefLabel "fluotrimazol"@nl .
csc:MVAUDJDXZPBWOW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:28647 ;
dbo:casNumber "17617-59-3" ;
dbo:formula "C17H15ClFN3O" ;
dbo:inchi "InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2" ;
dbo:iupacName "1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "28647"^^xsd:int ;
dbo:smiles "C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCN" ;
dbp:inchikey "MVAUDJDXZPBWOW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DdC2yfrzpm" ;
skos:prefLabel "didesethylflurazepam"@nl .
csc:KXUHSQYYJYAXGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10870 ;
dbo:casNumber "538-93-2" , "28729-54-6" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" ;
dbo:iupacName "2-methylpropylbenzene"@en ;
dbo:pubchem "10870"^^xsd:int ;
dbo:smiles "CC(C)CC1=CC=CC=C1" ;
dbp:inchikey "KXUHSQYYJYAXGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yBen" ;
skos:prefLabel "iso-butylbenzeen"@nl .
csc:HDDSHPAODJUKPD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3334 ;
dbo:casNumber "43210-67-9" , "53571-02-1" ;
dbo:formula "C15H13N3O2S" ;
dbo:inchi "InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)" ;
dbo:iupacName "methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate"@en ;
dbo:pubchem "3334"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3" ;
dbp:inchikey "HDDSHPAODJUKPD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004711 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbdzl" ;
skos:prefLabel "fenbendazol"@nl .
csc:BHFJBHMTEDLICO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9388 ;
dbo:casNumber "307-35-7" ;
dbo:formula "C8F18O2S" ;
dbo:inchi "InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride"@en ;
dbo:pubchem "9388"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "BHFJBHMTEDLICO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004050 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOSF" ;
skos:prefLabel "perfluorooctaansulfonylfluoride"@nl .
csc:QCWXUUIWCKQGHC-RNFDNDRNSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91573 ;
dbo:casNumber "13967-71-0" ;
dbo:formula "Zr" ;
dbo:inchi "InChI=1S/Zr/i1+4" ;
dbo:iupacName "zirconium-95"@en ;
dbo:pubchem "91573"^^xsd:int ;
dbo:smiles "[Zr]" ;
dbp:inchikey "QCWXUUIWCKQGHC-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Zr95" ;
skos:prefLabel "zirconium 95"@nl .
csc:PXIPVTKHYLBLMZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33557 ;
dbo:casNumber "108592-00-3" , "12136-89-9" , "157302-08-4" , "20828-18-6" , "26628-22-8" ;
dbo:formula "N3Na" ;
dbo:inchi "InChI=1S/N3.Na/c1-3-2;/q-1;+1" ;
dbo:iupacName "SODIUM AZIDE"@en ;
dbo:pubchem "33557"^^xsd:int ;
dbo:smiles "[N-]=[N+]=[N-].[Na+]" ;
dbp:inchikey "PXIPVTKHYLBLMZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000525 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naazde" ;
skos:prefLabel "natriumazide"@nl .
csc:ZHLICBPIXDOFFG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:36231 ;
dbo:casNumber "1336-36-3" , "32774-16-6" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "36231"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl" ;
dbp:inchikey "ZHLICBPIXDOFFG-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB 169"@nl , "3,3',4,4',5,5'-hexachloorbifenyl"@nl , "pcb 169"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_1336-36-3 , wise:CAS_32774-16-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB169" ;
skos:prefLabel "3,3',4,4',5,5'-hexachloorbifenyl (pcb169)"@nl ;
vcs:vmmParameterId "445"^^xsd:int , "758"^^xsd:int .
csc:QZSFJRIWRPJUOH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61286 ;
dbo:casNumber "1928-43-4" , "25168-26-7" ;
dbo:formula "C16H22Cl2O3" ;
dbo:inchi "InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3" ;
dbo:iupacName "2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "61286"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "QZSFJRIWRPJUOH-UHFFFAOYSA-N" ;
skos:altLabel "2,4-d 2-ethylhexylester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24D2C2yC6yEs" ;
skos:prefLabel "2,4-D 2-ethylhexylester"@nl .
csc:ZMYFCFLJBGAQRS-DLBZAZTESA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11067463 ;
dbo:casNumber "133855-98-8" ;
dbo:formula "C17H13ClFN3O" ;
dbo:inchi "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17+/m0/s1" ;
dbo:iupacName "1-[[(2S,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "11067463"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl" ;
dbp:inchikey "ZMYFCFLJBGAQRS-DLBZAZTESA-N" ;
skos:altLabel "epoxiconazool"@nl ;
skos:broader csc:CHEMONTID_0000253 ;
skos:exactMatch wise:CAS_133855-98-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "epxcnzl" ;
skos:prefLabel "epoxiconazole"@nl ;
vcs:vmmParameterId "1317"^^xsd:int .
csc:TUZYXOIXSAXUGO-PZAWKZKUSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:54687 ;
dbo:casNumber "81093-37-0" ;
dbo:formula "C23H36O7" ;
dbo:inchi "InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1" ;
dbo:iupacName "(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid"@en ;
dbo:pubchem "54687"^^xsd:int ;
dbo:smiles "CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O" ;
dbp:inchikey "TUZYXOIXSAXUGO-PZAWKZKUSA-N" ;
skos:broader csc:CHEMONTID_0000299 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pravstne" ;
skos:prefLabel "pravastatine"@nl .
csc:VAYGXNSJCAHWJZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6497 ;
dbo:casNumber "98478-67-2" , "62086-97-9" , "139443-72-4" , "77-78-1" ;
dbo:formula "C2H6O4S" ;
dbo:inchi "InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3" ;
dbo:iupacName "Dimethyl sulfate"@en ;
dbo:pubchem "6497"^^xsd:int ;
dbo:smiles "COS(=O)(=O)OC" ;
dbp:inchikey "VAYGXNSJCAHWJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001184 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1ySO4" ;
skos:prefLabel "dimethylsulfaat"@nl .
csc:HVYWMOMLDIMFJA-DPAQBDIFSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5997 ;
dbo:casNumber "22243-67-0" , "209124-38-9" , "218965-24-3" , "80356-14-5" , "57-88-5" ;
dbo:formula "C27H46O" ;
dbo:inchi "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "5997"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C" ;
dbp:inchikey "HVYWMOMLDIMFJA-DPAQBDIFSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cholEsrol" ;
skos:prefLabel "cholesterol"@nl .
csc:PGVOXXHNGYYHHB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16979 ;
dbo:casNumber "2400-00-2" ;
dbo:formula "C18H30" ;
dbo:inchi "InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3" ;
dbo:iupacName "dodecan-3-ylbenzene"@en ;
dbo:pubchem "16979"^^xsd:int ;
dbo:smiles "CCCCCCCCCC(CC)C1=CC=CC=C1" ;
dbp:inchikey "PGVOXXHNGYYHHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2yC10yBen" ;
skos:prefLabel "(1-ethyldecyl)-benzeen"@nl .
csc:DQKWXTIYGWPGOO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15533 ;
dbo:casNumber "33964-24-8" , "86702-80-9" , "1689-99-2" ;
dbo:formula "C15H17Br2NO2" ;
dbo:inchi "InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3" ;
dbo:iupacName "(2,6-dibromo-4-cyanophenyl) octanoate"@en ;
dbo:pubchem "15533"^^xsd:int ;
dbo:smiles "CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br" ;
dbp:inchikey "DQKWXTIYGWPGOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrOxnOcnat" ;
skos:prefLabel "broomoxynil-octanoaat"@nl .
csc:BBBUAWSVILPJLL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17162 ;
dbo:casNumber "2461-15-6" , "145928-91-2" , "98913-53-2" , "102640-36-8" ;
dbo:formula "C11H22O2" ;
dbo:inchi "InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3" ;
dbo:iupacName "2-(2-ethylhexoxymethyl)oxirane"@en ;
dbo:pubchem "17162"^^xsd:int ;
dbo:smiles "CCCCC(CC)COCC1CO1" ;
dbp:inchikey "BBBUAWSVILPJLL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6ygcdEt" ;
skos:prefLabel "2-ethylhexylglycidylether"@nl .
csc:XJENLUNLXRJLEZ-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:62500 ;
dbo:casNumber "12777-86-5" , "2609-88-3" , "184827-20-1" , "104298-69-3" , "204996-41-8" , "74871-35-5" , "39470-83-2" , "61261-16-3" , "3520-42-1" , "192230-72-1" , "103947-10-0" ;
dbo:formula "C29H33N2NaO7S2" ;
dbo:inchi "InChI=1S/C29H34N2O7S2.Na/c1-7-30(8-2)24-16-26-22(13-18(24)5)29(21-12-11-20(39(32,33)34)15-28(21)40(35,36)37)23-14-19(6)25(17-27(23)38-26)31(9-3)10-4;/h11-17H,7-10H2,1-6H3,(H-,32,33,34,35,36,37);/q;+1/p-1" ;
dbo:iupacName "sodium 4-(3-diethylamino-6-diethylazaniumylidene-2,7-dimethylxanthen-9-yl)benzene-1,3-disulfonate"@en ;
dbo:pubchem "62500"^^xsd:int ;
dbo:smiles "CCN(CC)C1=CC2=C(C=C1C)C(=C3C=C(C(=[N+](CC)CC)C=C3O2)C)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "XJENLUNLXRJLEZ-UHFFFAOYSA-M" ;
skos:altLabel "c.i. acid red 52"@nl ;
skos:broader csc:CHEMONTID_0000200 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ciard52" ;
skos:prefLabel "C.I. Acid Red 52"@nl .
csc:CWFOCCVIPCEQCK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91778 ;
dbo:casNumber "122453-73-0" ;
dbo:formula "C15H11BrClF3N2O" ;
dbo:inchi "InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3" ;
dbo:iupacName "4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile"@en ;
dbo:pubchem "91778"^^xsd:int ;
dbo:smiles "CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "CWFOCCVIPCEQCK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clfapr" ;
skos:prefLabel "chloorfenapyr"@nl .
csc:KQTVWCSONPJJPE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17432 ;
dbo:casNumber "2593-15-9" ;
dbo:formula "C5H5Cl3N2OS" ;
dbo:inchi "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" ;
dbo:iupacName "5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole"@en ;
dbo:pubchem "17432"^^xsd:int ;
dbo:smiles "CCOC1=NC(=NS1)C(Cl)(Cl)Cl" ;
dbp:inchikey "KQTVWCSONPJJPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000128 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "eTDazl" ;
skos:prefLabel "etridiazol"@nl .
csc:NRZWYNLTFLDQQX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6643 ;
dbo:casNumber "80-46-6" ;
dbo:formula "C11H16O" ;
dbo:inchi "InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3" ;
dbo:iupacName "4-(2-methylbutan-2-yl)phenol"@en ;
dbo:pubchem "6643"^^xsd:int ;
dbo:smiles "CCC(C)(C)C1=CC=C(C=C1)O" ;
dbp:inchikey "NRZWYNLTFLDQQX-UHFFFAOYSA-N" ;
skos:altLabel "4-tert-pentylfenol"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pttamFol" ;
skos:prefLabel "para-(tertiair-amyl)fenol"@nl .
csc:AUHZEENZYGFFBQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'trimethylbenzeen'"@nl ;
rdfs:seeAlso compound:7947 ;
dbo:casNumber "108-67-8" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" ;
dbo:iupacName "1,3,5-Trimethylbenzene"@en ;
dbo:pubchem "7947"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)C)C" ;
dbp:inchikey "AUHZEENZYGFFBQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_001 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_108-67-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TC1yBen" ;
skos:prefLabel "1,3,5-trimethylbenzeen"@nl ;
vcs:vmmParameterId "206"^^xsd:int .
csc:QEHKBHWEUPXBCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61437 ;
dbo:casNumber "10025-85-1" ;
dbo:formula "Cl3N" ;
dbo:inchi "InChI=1S/Cl3N/c1-4(2)3" ;
dbo:iupacName "trichloroamine"@en ;
dbo:pubchem "61437"^^xsd:int ;
dbo:smiles "N(Cl)(Cl)Cl" ;
dbp:inchikey "QEHKBHWEUPXBCW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VII_002 ;
skos:altLabel "stikstoftrichloride"@nl ;
skos:broader csc:CHEMONTID_0000549 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NTCl" ;
skos:prefLabel "trichlooramine"@nl .
csc:HYJSGOXICXYZGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19662 ;
dbo:casNumber "3813-05-6" ;
dbo:formula "C9H6ClNO3S" ;
dbo:inchi "InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)" ;
dbo:iupacName "2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid"@en ;
dbo:pubchem "19662"^^xsd:int ;
dbo:smiles "C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O" ;
dbp:inchikey "HYJSGOXICXYZGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:exactMatch wise:CAS_3813-05-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzln" ;
skos:prefLabel "benazolin"@nl ;
vcs:vmmParameterId "398"^^xsd:int .
csc:AAOVKJBEBIDNHE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3016 ;
dbo:casNumber "53320-84-6" , "439-14-5" , "11100-37-1" ;
dbo:formula "C16H13ClN2O" ;
dbo:inchi "InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3" ;
dbo:iupacName "7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "3016"^^xsd:int ;
dbo:smiles "CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3" ;
dbp:inchikey "AAOVKJBEBIDNHE-UHFFFAOYSA-N" ;
skos:altLabel "valium"@nl ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "valum" ;
skos:prefLabel "diazepam"@nl .
csc:NRHFWOJROOQKBK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6327657 ;
dbo:casNumber "76-87-9" ;
dbo:formula "C18H17OSn" ;
dbo:inchi "InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;" ;
dbo:iupacName "tri(phenyl)tin hydrate"@en ;
dbo:pubchem "6327657"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O" ;
dbp:inchikey "NRHFWOJROOQKBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "trifenyltinhydroxide"@nl .
csc:DCMURXAZTZQAFB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37803 ;
dbo:casNumber "37680-65-2" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H" ;
dbo:iupacName "1,4-dichloro-2-(2-chlorophenyl)benzene"@en ;
dbo:pubchem "37803"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl" ;
dbp:inchikey "DCMURXAZTZQAFB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB18" ;
skos:prefLabel "2,2',5-trichloorbifenyl"@nl .
csc:WIHMGGWNMISDNJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6573 ;
dbo:casNumber "78-99-9" ;
dbo:formula "C3H6Cl2" ;
dbo:inchi "InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3" ;
dbo:iupacName "1,1-DICHLOROPROPANE"@en ;
dbo:pubchem "6573"^^xsd:int ;
dbo:smiles "CCC(Cl)Cl" ;
dbp:inchikey "WIHMGGWNMISDNJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DClC3a" ;
skos:prefLabel "1,1-dichloorpropaan"@nl .
csc:FOCAUTSVDIKZOP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:300 ;
dbo:casNumber "79-11-8" ;
dbo:formula "C2H3ClO2" ;
dbo:inchi "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" ;
dbo:iupacName "2-chloroacetic acid"@en ;
dbo:pubchem "300"^^xsd:int ;
dbo:smiles "C(C(=O)O)Cl" ;
dbp:inchikey "FOCAUTSVDIKZOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:exactMatch wise:CAS_79-11-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClHAc" ;
skos:prefLabel "chloorazijnzuur"@nl ;
vcs:vmmParameterId "372"^^xsd:int .
csc:QBJCDRCOQAVMJK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
dbo:casNumber "683-18-1" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/2C4H9.2Cl.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;;;" ;
dbo:iupacName "dibutyl-dichlorostannane"@en ;
dbo:smiles "0" ;
dbp:inchikey "QBJCDRCOQAVMJK-UHFFFAOYSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "dibutyltindichloride"@nl .
csc:VLHAGZNBWKUMRW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14040 ;
dbo:casNumber "1068-87-7" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3" ;
dbo:iupacName "3-Ethyl-2,4-dimethylpentane"@en ;
dbo:pubchem "14040"^^xsd:int ;
dbo:smiles "CCC(C(C)C)C(C)C" ;
dbp:inchikey "VLHAGZNBWKUMRW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2y24DC1yC5" ;
skos:prefLabel "3-ethyl-2,4-dimethylpentaan"@nl .
csc:AVQQQNCBBIEMEU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12437 ;
dbo:casNumber "632-22-4" ;
dbo:formula "C5H12N2O" ;
dbo:inchi "InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3" ;
dbo:iupacName "1,1,3,3-Tetramethylurea"@en ;
dbo:pubchem "12437"^^xsd:int ;
dbo:smiles "CN(C)C(=O)N(C)C" ;
dbp:inchikey "AVQQQNCBBIEMEU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1yurum" ;
skos:prefLabel "tetramethylureum"@nl .
csc:XKRFYHLGVUSROY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23968 ;
dbo:casNumber "24494-51-7" , "13473-05-7" , "75714-55-5" , "137736-93-7" , "7440-37-1" , "50938-66-4" ;
dbo:formula "Ar" ;
dbo:inchi "InChI=1S/Ar" ;
dbo:iupacName "ARGON"@en ;
dbo:pubchem "23968"^^xsd:int ;
dbo:smiles "[Ar]" ;
dbp:inchikey "XKRFYHLGVUSROY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ar" ;
skos:prefLabel "argon"@nl .
csc:XDTMQSROBMDMFD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8078 ;
dbo:casNumber "68411-76-7" , "25012-93-5" , "110-82-7" ;
dbo:formula "C6H12" ;
dbo:inchi "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" ;
dbo:iupacName "Cyclohexane"@en ;
dbo:pubchem "8078"^^xsd:int ;
dbo:smiles "C1CCCCC1" ;
dbp:inchikey "XDTMQSROBMDMFD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC6a" ;
skos:prefLabel "cyclohexaan"@nl .
csc:UEMBNLWZFIWQFL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11459 ;
dbo:casNumber "586-11-8" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H" ;
dbo:iupacName "3,5-DINITROPHENOL"@en ;
dbo:pubchem "11459"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]" ;
dbp:inchikey "UEMBNLWZFIWQFL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DNO2Fol" ;
skos:prefLabel "3,5-dinitrofenol"@nl .
csc:DBTMGCOVALSLOR-VPNXCSTESA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:439306 ;
dbo:casNumber "9008-22-4" ;
dbo:formula "C18H32O16" ;
dbo:inchi "InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16?,17?,18?/m1/s1" ;
dbo:iupacName "(3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"@en ;
dbo:pubchem "439306"^^xsd:int ;
dbo:smiles "C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O" ;
dbp:inchikey "DBTMGCOVALSLOR-VPNXCSTESA-N" ;
skos:broader csc:CHEMONTID_0000198 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lamnrn" ;
skos:prefLabel "laminaran"@nl .
csc:VHVOLFRBFDOUSH-NSCUHMNNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:637796 ;
dbo:casNumber "4043-71-4" , "120-58-1" , "191281-03-5" ;
dbo:formula "C10H10O2" ;
dbo:inchi "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+" ;
dbo:iupacName "['5-Prop-1-enyl-1,3-benzodioxole', '5-[(E)-prop-1-enyl]-1,3-benzodioxole']"@en ;
dbo:pubchem "637796"^^xsd:int ;
dbo:smiles "CC=CC1=CC2=C(C=C1)OCO2" ;
dbp:inchikey "VHVOLFRBFDOUSH-NSCUHMNNSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "isfl" ;
skos:prefLabel "isosafrol"@nl .
csc:WTEOIRVLGSZEPR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6356 ;
dbo:casNumber "109704-87-2" , "15875-25-9" , "372-85-0" , "20654-88-0" , "155123-44-7" , "7637-07-2" ;
dbo:formula "BF3" ;
dbo:inchi "InChI=1S/BF3/c2-1(3)4" ;
dbo:iupacName "Trifluoroborane"@en ;
dbo:pubchem "6356"^^xsd:int ;
dbo:smiles "B(F)(F)F" ;
dbp:inchikey "WTEOIRVLGSZEPR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000584 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BTF" ;
skos:prefLabel "boortrifluoride"@nl .
csc:BTOCFTAWZMMTNB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:63077 ;
dbo:casNumber "41411-63-6" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "63077"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "BTOCFTAWZMMTNB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB166" ;
skos:prefLabel "2,3,4,4',5,6-hexachloorbifenyl"@nl .
csc:PROQIPRRNZUXQM-ZXXIGWHRSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5756 ;
dbo:casNumber "50-27-1" ;
dbo:formula "C18H24O3" ;
dbo:inchi "InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol"@en ;
dbo:pubchem "5756"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "PROQIPRRNZUXQM-ZXXIGWHRSA-N" ;
skos:altLabel "oestriol"@nl ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "esTol" ;
skos:prefLabel "estriol"@nl .
csc:VJAWBEFMCIINFU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:43704 ;
dbo:casNumber "10552-74-6" ;
dbo:formula "C14H17NO6" ;
dbo:inchi "InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3" ;
dbo:iupacName "dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate"@en ;
dbo:pubchem "43704"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C" ;
dbp:inchikey "VJAWBEFMCIINFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nittliC3y" ;
skos:prefLabel "nitrothal-isopropyl"@nl .
csc:BULVZWIRKLYCBC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4790 ;
dbo:casNumber "298-02-2" ;
dbo:formula "C7H17O2PS3" ;
dbo:inchi "InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3" ;
dbo:iupacName "diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "4790"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSCC" ;
dbp:inchikey "BULVZWIRKLYCBC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fort" ;
skos:prefLabel "foraat"@nl .
csc:LBNXAWYDQUGHGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14115 ;
dbo:casNumber "1078-71-3" ;
dbo:formula "C13H20" ;
dbo:inchi "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3" ;
dbo:iupacName "Heptylbenzene"@en ;
dbo:pubchem "14115"^^xsd:int ;
dbo:smiles "CCCCCCCC1=CC=CC=C1" ;
dbp:inchikey "LBNXAWYDQUGHGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C7yBen" ;
skos:prefLabel "heptylbenzeen"@nl .
csc:KIEDNEWSYUYDSN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:54778 ;
dbo:casNumber "89493-06-1" , "81777-89-1" ;
dbo:formula "C12H14ClNO2" ;
dbo:inchi "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" ;
dbo:iupacName "2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one"@en ;
dbo:pubchem "54778"^^xsd:int ;
dbo:smiles "CC1(CON(C1=O)CC2=CC=CC=C2Cl)C" ;
dbp:inchikey "KIEDNEWSYUYDSN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clomzn" ;
skos:prefLabel "clomazon"@nl .
csc:BAZVSMNPJJMILC-STQMWFEESA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:92416 ;
dbo:casNumber "89482-17-7" ;
dbo:formula "C14H18ClN3O2" ;
dbo:inchi "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13-/m0/s1" ;
dbo:iupacName "(1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "92416"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "BAZVSMNPJJMILC-STQMWFEESA-N" ;
skos:altLabel "triadimenol-a"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TadmnlA" ;
skos:prefLabel "triadimenol-A"@nl .
csc:GQPLMRYTRLFLPF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II (D1, definities broeikasgassen)"@nl , "VLAR III (D3) 'N2O'"@nl ;
rdfs:seeAlso compound:948 ;
dbo:casNumber "130835-71-1" , "175876-44-5" , "147527-07-9" , "10024-97-2" , "126386-65-0" , "129451-49-6" ;
dbo:formula "N2O" ;
dbo:inchi "InChI=1S/N2O/c1-2-3" ;
dbo:iupacName "nitrous oxide"@en ;
dbo:pubchem "948"^^xsd:int ;
dbo:smiles "[N-]=[N+]=O" ;
dbp:inchikey "GQPLMRYTRLFLPF-UHFFFAOYSA-N" ;
skos:altLabel "distikstofoxide (N2O)"@nl , "distikstofoxide (lachgas)"@nl ;
skos:broader csc:CHEMONTID_0000553 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N2O" ;
skos:prefLabel "distikstofoxide (n2o)"@nl .
csc:LIUBOLYWYDGCSJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:142558 ;
dbo:casNumber "41902-42-5" ;
dbo:formula "C13H28O" ;
dbo:inchi "InChI=1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3" ;
dbo:iupacName "3-tert-butyl-2,2,4,4-tetramethylpentan-3-ol"@en ;
dbo:pubchem "142558"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(C)(C)C)(C(C)(C)C)O" ;
dbp:inchikey "LIUBOLYWYDGCSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TttC4yC1ol" ;
skos:prefLabel "tri-tert-butylmethanol"@nl .
csc:LDVVMCZRFWMZSG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8606 ;
dbo:casNumber "37335-15-2" , "120528-25-8" , "1321-42-2" , "133-06-2" ;
dbo:formula "C9H8Cl3NO2S" ;
dbo:inchi "InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" ;
dbo:iupacName "2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione"@en ;
dbo:pubchem "8606"^^xsd:int ;
dbo:smiles "C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl" ;
dbp:inchikey "LDVVMCZRFWMZSG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:exactMatch wise:CAS_133-06-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "captn" ;
skos:prefLabel "captan"@nl ;
vcs:vmmParameterId "1482"^^xsd:int .
csc:MOZDKDIOPSPTBH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7180 ;
dbo:casNumber "94-18-8" ;
dbo:formula "C14H12O3" ;
dbo:inchi "InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2" ;
dbo:iupacName "Phenylmethyl 4-hydroxybenzoate"@en ;
dbo:pubchem "7180"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O" ;
dbp:inchikey "MOZDKDIOPSPTBH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benz4HOxbzat" ;
skos:prefLabel "benzyl 4-hydroxybenzoaat"@nl .
csc:QMHAHUAQAJVBIW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:134472 ;
dbo:casNumber "3984-14-3" ;
dbo:formula "C2H8N2O2S" ;
dbo:inchi "InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6)" ;
dbo:iupacName "(methyl-sulfamoylamino)methane"@en ;
dbo:pubchem "134472"^^xsd:int ;
dbo:smiles "CN(C)S(=O)(=O)N" ;
dbp:inchikey "QMHAHUAQAJVBIW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001183 ;
skos:exactMatch wise:CAS_3984-14-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1ysAd" ;
skos:prefLabel "dimethylsulfamide"@nl ;
vcs:vmmParameterId "1539"^^xsd:int .
csc:AQXXZDYPVDOQEE-MXDQRGINSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281033 ;
dbo:casNumber "122157-48-6" , "22204-24-6" ;
dbo:formula "C34H30N2O6S" ;
dbo:inchi "InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+" ;
dbo:iupacName "['4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine', '4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine']"@en ;
dbo:pubchem "5281033"^^xsd:int ;
dbo:smiles "CN1CCCN=C1C=CC2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O" ;
dbp:inchikey "AQXXZDYPVDOQEE-MXDQRGINSA-N" ;
skos:broader csc:CHEMONTID_0002421 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrtpmat" ;
skos:prefLabel "pyrantel pamoaat"@nl .
csc:PXTADLCAVHRXCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:34308 ;
dbo:casNumber "28680-45-7" ;
dbo:formula "C7H3Cl7" ;
dbo:inchi "InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h1,3-4H" ;
dbo:iupacName "1,2,4,5,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene"@en ;
dbo:pubchem "34308"^^xsd:int ;
dbo:smiles "C1=C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "PXTADLCAVHRXCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HpClnbnn" ;
skos:prefLabel "heptachloornorborneen"@nl .
csc:DQVGVYRSVYCJRR-HTLTWAQSSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5351507 ;
dbo:casNumber "603-17-8" ;
dbo:formula "C55H74N4O5" ;
dbo:inchi "InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?" ;
dbo:iupacName "methyl 16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate"@en ;
dbo:pubchem "5351507"^^xsd:int ;
dbo:smiles "CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5C(=O)OC)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C" ;
dbp:inchikey "DQVGVYRSVYCJRR-HTLTWAQSSA-N" ;
skos:broader csc:CHEMONTID_0000716 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "feofytine a"@nl .
csc:REEQLXCGVXDJSQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41428 ;
dbo:casNumber "69653-72-1" , "55335-06-3" ;
dbo:formula "C7H4Cl3NO3" ;
dbo:inchi "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" ;
dbo:iupacName "2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid"@en ;
dbo:pubchem "41428"^^xsd:int ;
dbo:smiles "C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl" ;
dbp:inchikey "REEQLXCGVXDJSQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:exactMatch wise:CAS_55335-06-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tcpr" ;
skos:prefLabel "triclopyr"@nl ;
vcs:vmmParameterId "1519"^^xsd:int .
csc:DWFZBUWUXWZWKD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91754 ;
dbo:casNumber "96489-71-3" ;
dbo:formula "C19H25ClN2OS" ;
dbo:inchi "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" ;
dbo:iupacName "2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one"@en ;
dbo:pubchem "91754"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl" ;
dbp:inchikey "DWFZBUWUXWZWKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdbn" ;
skos:prefLabel "pyridaben"@nl .
csc:GLZPCOQZEFWAFX-JXMROGBWSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:637566 ;
dbo:casNumber "624-15-7" , "68311-14-8" , "8007-13-4" , "106-24-1" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" ;
dbo:iupacName "['(2E)-3,7-dimethylocta-2,6-dien-1-ol', '3,7-dimethylocta-2,6-dien-1-ol']"@en ;
dbo:pubchem "637566"^^xsd:int ;
dbo:smiles "CC(=CCCC(=CCO)C)C" ;
dbp:inchikey "GLZPCOQZEFWAFX-JXMROGBWSA-N" ;
skos:broader csc:CHEMONTID_0001127 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gernl" ;
skos:prefLabel "geraniol"@nl .
csc:MWFMGBPGAXYFAR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6406 ;
dbo:casNumber "75-86-5" , "59182-86-4" ;
dbo:formula "C4H7NO" ;
dbo:inchi "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3" ;
dbo:iupacName "2-Hydroxy-2-methylpropanenitrile"@en ;
dbo:pubchem "6406"^^xsd:int ;
dbo:smiles "CC(C)(C#N)O" ;
dbp:inchikey "MWFMGBPGAXYFAR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yltntl" ;
skos:prefLabel "2-methyllactonitril"@nl .
csc:HWWYDZCSSYKIAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11565 ;
dbo:casNumber "591-22-0" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" ;
dbo:iupacName "3,5-Dimethylpyridine"@en ;
dbo:pubchem "11565"^^xsd:int ;
dbo:smiles "CC1=CC(=CN=C1)C" ;
dbp:inchikey "HWWYDZCSSYKIAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DC1yprdne" ;
skos:prefLabel "3,5-dimethylpyridine"@nl .
csc:DKPFZGUDAPQIHT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:31272 ;
dbo:casNumber "123-86-4" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" ;
dbo:iupacName "Butyl acetate"@en ;
dbo:pubchem "31272"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C" ;
dbp:inchikey "DKPFZGUDAPQIHT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_011 , co:LUC_IV_004 , co:LUC_IV_000 ;
skos:altLabel "butylacetaat"@nl ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yactt" ;
skos:prefLabel "n-butylacetaat"@nl .
csc:LUQMWGMGWJEGAT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36027 ;
dbo:casNumber "31972-43-7" , "124793-11-9" ;
dbo:formula "C13H22NO4PS" ;
dbo:inchi "InChI=1S/C13H22NO4PS/c1-6-17-19(15,14-10(2)3)18-12-7-8-13(20(5)16)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" ;
dbo:iupacName "N-[ethoxy-(3-methyl-4-methylsulfinylphenoxy)phosphoryl]propan-2-amine"@en ;
dbo:pubchem "36027"^^xsd:int ;
dbo:smiles "CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)C)C" ;
dbp:inchikey "LUQMWGMGWJEGAT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004632 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenamfSO" ;
skos:prefLabel "fenamifos-sulfoxide"@nl .
csc:CRPUJAZIXJMDBK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6616 ;
dbo:casNumber "5794-04-7" , "79-92-5" , "565-00-4" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3" ;
dbo:iupacName "6,6-dimethyl-5-methylidenebicyclo[2.2.1]heptane"@en ;
dbo:pubchem "6616"^^xsd:int ;
dbo:smiles "CC1(C2CCC(C2)C1=C)C" ;
dbp:inchikey "CRPUJAZIXJMDBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "campn" ;
skos:prefLabel "campheen"@nl .
csc:LMXFTMYMHGYJEI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:556998 ;
dbo:casNumber "42822-86-6" ;
dbo:formula "C10H20O2" ;
dbo:inchi "InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3" ;
dbo:iupacName "2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol"@en ;
dbo:pubchem "556998"^^xsd:int ;
dbo:smiles "CC1CCC(C(C1)O)C(C)(C)O" ;
dbp:inchikey "LMXFTMYMHGYJEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "p-ment38Dol" ;
skos:prefLabel "p-menthaan-3,8-diol"@nl .
csc:UUIVKBHZENILKB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25059 ;
dbo:casNumber "10222-01-2" ;
dbo:formula "C3H2Br2N2O" ;
dbo:inchi "InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)" ;
dbo:iupacName "2,2-DIBROMO-2-CYANOACETAMIDE"@en ;
dbo:pubchem "25059"^^xsd:int ;
dbo:smiles "C(#N)C(C(=O)N)(Br)Br" ;
dbp:inchikey "UUIVKBHZENILKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001662 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DBr2caacam" ;
skos:prefLabel "2,2-dibroom-2-cyaanaceetamide"@nl .
csc:VJTAZCKMHINUKO-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31273 ;
dbo:casNumber "123-88-6" ;
dbo:formula "C3H7ClHgO" ;
dbo:inchi "InChI=1S/C3H7O.ClH.Hg/c1-3-4-2;;/h1,3H2,2H3;1H;/q;;+1/p-1" ;
dbo:iupacName "2-Methoxyethylmercury chloride"@en ;
dbo:pubchem "31273"^^xsd:int ;
dbo:smiles "COCC[Hg+].[Cl-]" ;
dbp:inchikey "VJTAZCKMHINUKO-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxC2yHgCl" ;
skos:prefLabel "methoxyethylkwikchloride"@nl .
csc:JYWIYHUXVMAGLG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16779 ;
dbo:casNumber "2277-92-1" ;
dbo:formula "C13H6Cl5NO3" ;
dbo:inchi "InChI=1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)" ;
dbo:iupacName "2,3,5-Trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide"@en ;
dbo:pubchem "16779"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1NC(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl)Cl" ;
dbp:inchikey "JYWIYHUXVMAGLG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oxcznde" ;
skos:prefLabel "oxyclozanide"@nl .
csc:JCTXKRPTIMZBJT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8946 ;
dbo:casNumber "144-19-4" , "127894-68-2" ;
dbo:formula "C8H18O2" ;
dbo:inchi "InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3" ;
dbo:iupacName "2,2,4-Trimethylpentane-1,3-diol"@en ;
dbo:pubchem "8946"^^xsd:int ;
dbo:smiles "CC(C)C(C(C)(C)CO)O" ;
dbp:inchikey "JCTXKRPTIMZBJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "224TC1y13C5a" ;
skos:prefLabel "2,2,4-trimethyl-1,3-pentaandiol"@nl .
csc:OWEGWHBOCFMBLP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37907 ;
dbo:casNumber "38083-17-9" ;
dbo:formula "C15H17ClN2O2" ;
dbo:inchi "InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3" ;
dbo:iupacName "1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one"@en ;
dbo:pubchem "37907"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl" ;
dbp:inchikey "OWEGWHBOCFMBLP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "climbzle" ;
skos:prefLabel "climbazole"@nl .
csc:DVOODWOZJVJKQR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:94498 ;
dbo:casNumber "39807-15-3" ;
dbo:formula "C15H14Cl2N2O3" ;
dbo:inchi "InChI=1S/C15H14Cl2N2O3/c1-5-6-21-12-8-11(9(16)7-10(12)17)19-14(20)22-13(18-19)15(2,3)4/h1,7-8H,6H2,2-4H3" ;
dbo:iupacName "5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one"@en ;
dbo:pubchem "94498"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=NN(C(=O)O1)C2=CC(=C(C=C2Cl)Cl)OCC#C" ;
dbp:inchikey "DVOODWOZJVJKQR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxdagl" ;
skos:prefLabel "oxadiargyl"@nl .
csc:BBLDTXFLAHKYFJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:27010 ;
dbo:casNumber "15045-43-9" ;
dbo:formula "C8H16O" ;
dbo:inchi "InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3" ;
dbo:iupacName "2,2,5,5-tetramethyloxolane"@en ;
dbo:pubchem "27010"^^xsd:int ;
dbo:smiles "CC1(CCC(O1)(C)C)C" ;
dbp:inchikey "BBLDTXFLAHKYFJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002648 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2255T4C4yT4H" ;
skos:prefLabel "2,2,5,5,-tetramethyl-tetrahydrofuran"@nl .
csc:IAOZJIPTCAWIRG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2242 ;
dbo:casNumber "7421-84-3" , "22839-47-0" , "53906-69-7" ;
dbo:formula "C14H18N2O5" ;
dbo:inchi "InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)" ;
dbo:iupacName "3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid"@en ;
dbo:pubchem "2242"^^xsd:int ;
dbo:smiles "COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N" ;
dbp:inchikey "IAOZJIPTCAWIRG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000348 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "asptm" ;
skos:prefLabel "aspartaam"@nl .
csc:NIWWFAAXEMMFMS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23979 ;
dbo:casNumber "7440-51-9" ;
dbo:formula "Cm" ;
dbo:inchi "InChI=1S/Cm" ;
dbo:iupacName "CURIUM"@en ;
dbo:pubchem "23979"^^xsd:int ;
dbo:smiles "[Cm]" ;
dbp:inchikey "NIWWFAAXEMMFMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cm" ;
skos:prefLabel "curium"@nl .
csc:DPNGWXJMIILTBS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:442649 ;
dbo:casNumber "532-12-7" ;
dbo:formula "C9H10N2" ;
dbo:inchi "InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2" ;
dbo:iupacName "3-(4,5-dihydro-3H-pyrrol-2-yl)pyridine"@en ;
dbo:pubchem "442649"^^xsd:int ;
dbo:smiles "C1CC(=NC1)C2=CN=CC=C2" ;
dbp:inchikey "DPNGWXJMIILTBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "myomne" ;
skos:prefLabel "myosmine"@nl .
csc:PCSMJKASWLYICJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12524 ;
dbo:casNumber "638-37-9" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2" ;
dbo:iupacName "BUTANEDIAL"@en ;
dbo:pubchem "12524"^^xsd:int ;
dbo:smiles "C(CC=O)C=O" ;
dbp:inchikey "PCSMJKASWLYICJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "succAh" ;
skos:prefLabel "succinaldehyde"@nl .
cosc:lucht rdf:type skos:Collection ;
skos:inScheme vlcs:chemische_stof ;
skos:member csc:QGJOPFRUJISHPQ-UHFFFAOYSA-N , csc:MVPPADPHJFYWMZ-UHFFFAOYSA-N , csc:XBDQKXXYIPTUBI-UHFFFAOYSA-N , csc:XPFVYQJUAUNWIW-UHFFFAOYSA-N , csc:WCLNVRQZUKYVAI-UHFFFAOYSA-N , csc:IVSZLXZYQVIEFR-UHFFFAOYSA-N , csc:OAKJQQAXSVQMHS-UHFFFAOYSA-N , csc:UQMGJOKDKOLIDP-UHFFFAOYSA-N , csc:KWKAKUADMBZCLK-UHFFFAOYSA-N , csc:LFQSCWFLJHTTHZ-UHFFFAOYSA-N , csc:RHIROFAGUQOFLU-UHFFFAOYSA-N , csc:KZBUYRJDOAKODT-UHFFFAOYSA-N , csc:QSHDDOUJBYECFT-UHFFFAOYSA-N , csc:XTXRWKRVRITETP-UHFFFAOYSA-N , csc:LELOWRISYMNNSU-UHFFFAOYSA-N , csc:CTQNGGLPUBDAKN-UHFFFAOYSA-N , csc:PPBRXRYQALVLMV-UHFFFAOYSA-N , csc:UHOVQNZJYSORNB-UHFFFAOYSA-N , csc:KUFFULVDNCHOFZ-UHFFFAOYSA-N , csc:MWPLVEDNUUSJAV-UHFFFAOYSA-N , csc:PTTPXKJBFFKCEK-UHFFFAOYSA-N , csc:XSTXAVWGXDQKEL-UHFFFAOYSA-N , csc:LIKMAJRDDDTEIG-UHFFFAOYSA-N , csc:YGYAWVDWMABLBF-UHFFFAOYSA-N , csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N , csc:SXQBHARYMNFBPS-UHFFFAOYSA-N , csc:JCXJVPUVTGWSNB-UHFFFAOYSA-N , csc:AUHZEENZYGFFBQ-UHFFFAOYSA-N , csc:BAVYZALUXZFZLV-UHFFFAOYSA-N , csc:VZGDMQKNWNREIO-UHFFFAOYSA-N , csc:XEKOWRVHYACXOJ-UHFFFAOYSA-N , csc:JRZJOMJEPLMPRA-UHFFFAOYSA-N , csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N , csc:UFWIBTONFRDIAS-UHFFFAOYSA-N , csc:ZTQSAGDEMFDKMZ-UHFFFAOYSA-N , csc:WABPQHHGFIMREM-UHFFFAOYSA-N , csc:HPNMFZURTQLUMO-UHFFFAOYSA-N , csc:ZAFNJMIOTHYJRJ-UHFFFAOYSA-N , csc:POAOYUHQDCAZBD-UHFFFAOYSA-N , csc:XTAHLACQOVXINQ-UHFFFAOYSA-N , csc:ODUCDPQEXGNKDN-UHFFFAOYSA-N , csc:IUTPYMGCWINGEY-UHFFFAOYSA-N , csc:LEONUFNNVUYDNQ-UHFFFAOYSA-N , csc:LYCAIKOWRPUZTN-UHFFFAOYSA-N , csc:YNPNZTXNASCQKK-UHFFFAOYSA-N , csc:KSMVNVHUTQZITP-UHFFFAOYSA-N , csc:JHIVVAPYMSGYDF-UHFFFAOYSA-N , csc:ZGEGCLOFRBLKSE-UHFFFAOYSA-N , csc:NBBJYMSMWIIQGU-UHFFFAOYSA-N , csc:DVKJHBMWWAPEIU-UHFFFAOYSA-N , csc:KFZMGEQAYNKOFK-UHFFFAOYSA-N , csc:JBIJLHTVPXGSAM-UHFFFAOYSA-N , csc:HYBBIBNJHNGZAN-UHFFFAOYSA-N , csc:NTIZESTWPVYFNL-UHFFFAOYSA-N , csc:GOOHAUXETOMSMM-UHFFFAOYSA-N , csc:SBMIVUVRFPGOEB-UHFFFAOYSA-N , csc:HUWXDEQWWKGHRV-UHFFFAOYSA-N , csc:IAYPIBMASNFSPL-UHFFFAOYSA-N , csc:DKPFZGUDAPQIHT-UHFFFAOYSA-N , csc:HXGDTGSAIMULJN-UHFFFAOYSA-N , csc:MYMOFIZGZYHOMD-UHFFFAOYSA-N , csc:AKEJUJNQAAGONA-UHFFFAOYSA-N , csc:XUAWBXBYHDRROL-UHFFFAOYSA-N , csc:AZXHAWRMEPZSSV-UHFFFAOYSA-N , csc:GQPLMRYTRLFLPF-UHFFFAOYSA-N , csc:ZMXDDKWLCZADIW-UHFFFAOYSA-N , csc:BHWVLZJTVIYLIV-UHFFFAOYSA-N , csc:BRLQWZUYTZBJKN-UHFFFAOYSA-N , csc:RYHBNJHYFVUHQT-UHFFFAOYSA-N , csc:IKHGUXGNUITLKF-UHFFFAOYSA-N , csc:URLKBWYHVLBVBO-UHFFFAOYSA-N , csc:CURLTUGMZLYLDI-UHFFFAOYSA-N , csc:BDERNNFJNOPAEC-UHFFFAOYSA-N , csc:DKGAVHZHDRPRBM-UHFFFAOYSA-N , csc:BASFCYQUMIYNBI-UHFFFAOYSA-N , csc:RWSOTUBLDIXVET-UHFFFAOYSA-N , csc:JIGUQPWFLRLWPJ-UHFFFAOYSA-N , csc:NLHHRLWOUZZQLW-UHFFFAOYSA-N , csc:OFBQJSOFQDEBGM-UHFFFAOYSA-N , csc:XYLMUPLGERFSHI-UHFFFAOYSA-N , csc:BBEAQIROQSPTKN-UHFFFAOYSA-N , csc:NIHNNTQXNPWCJQ-UHFFFAOYSA-N , csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N , csc:WIDHRBRBACOVOY-UHFFFAOYSA-N , csc:VEZCTZWLJYWARH-UHFFFAOYSA-N , csc:QPJVMBTYPHYUOC-UHFFFAOYSA-N , csc:KAKZBPTYRLMSJV-UHFFFAOYSA-N , csc:YXFVVABEGXRONW-UHFFFAOYSA-N , csc:RTZKZFJDLAIYFH-UHFFFAOYSA-N , csc:RNVCVTLRINQCPJ-UHFFFAOYSA-N , csc:YTWXDQVNPCIEOX-UHFFFAOYSA-N , csc:LAHWLEDBADHJGA-UHFFFAOYSA-N , csc:ZXEKIIBDNHEJCQ-UHFFFAOYSA-N , csc:KFUSEUYYWQURPO-UPHRSURJSA-N , csc:WMOVHXAZOJBABW-UHFFFAOYSA-N , csc:BZTYNSQSZHARAZ-UHFFFAOYSA-N , csc:GVEPBJHOBDJJJI-UHFFFAOYSA-N , csc:XYFCBTPGUUZFHI-UHFFFAOYSA-N , csc:BKIMMITUMNQMOS-UHFFFAOYSA-N , csc:VGVHNLRUAMRIEW-UHFFFAOYSA-N , csc:SXZSFWHOSHAKMN-UHFFFAOYSA-N , csc:BTANRVKWQNVYAZ-UHFFFAOYSA-N , csc:CSCPPACGZOOCGX-UHFFFAOYSA-N , csc:QAOWNCQODCNURD-UHFFFAOYSA-N , csc:RPUMZMSNLZHIGZ-UHFFFAOYSA-N , csc:VEXZGXHMUGYJMC-UHFFFAOYSA-N , csc:FSPZPQQWDODWAU-UHFFFAOYSA-N , csc:FTOVXSOBNPWTSH-UHFFFAOYSA-N , csc:GJRQTCIYDGXPES-UHFFFAOYSA-N , csc:BAPJBEWLBFYGME-UHFFFAOYSA-N , csc:HCWZEPKLWVAEOV-UHFFFAOYSA-N , csc:ZBCBWPMODOFKDW-UHFFFAOYSA-N , csc:YNQLUTRBYVCPMQ-UHFFFAOYSA-N , csc:ZHLICBPIXDOFFG-UHFFFAOYSA-N , csc:ROSDSFDQCJNGOL-UHFFFAOYSA-N , csc:SFZCNBIFKDRMGX-UHFFFAOYSA-N , csc:ISWSIDIOOBJBQZ-UHFFFAOYSA-N , csc:WSFSSNUMVMOOMR-UHFFFAOYSA-N , csc:WDMKCPIVJOGHBF-UHFFFAOYSA-N , csc:QSKPIOLLBIHNAC-UHFFFAOYSA-N , csc:RWGFKTVRMDUZSP-UHFFFAOYSA-N , csc:WUOBERCRSABHOT-UHFFFAOYSA-N , csc:CYTYCFOTNPOANT-UHFFFAOYSA-N , csc:UGFAIRIUMAVXCW-UHFFFAOYSA-N , csc:LVYBAQIVPKCOEE-UHFFFAOYSA-N , csc:WYURNTSHIVDZCO-UHFFFAOYSA-N , csc:VLKZOEOYAKHREP-UHFFFAOYSA-N , csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N , csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N , csc:TVMXDCGIABBOFY-UHFFFAOYSA-N , csc:QEHKBHWEUPXBCW-UHFFFAOYSA-N , csc:RFFLAFLAYFXFSW-UHFFFAOYSA-N , csc:DURPTKYDGMDSBL-UHFFFAOYSA-N , csc:CWRYPZZKDGJXCA-UHFFFAOYSA-N , csc:GYFAGKUZYNFMBN-UHFFFAOYSA-N , csc:PYUSJFJVDVSXIU-UHFFFAOYSA-N , csc:QTBSBXVTEAMEQO-UHFFFAOYSA-N , csc:VYZAMTAEIAYCRO-UHFFFAOYSA-N , csc:ZNQVEEAIQZEUHB-UHFFFAOYSA-N , csc:YMWUJEATGCHHMB-UHFFFAOYSA-N , csc:BZHJMEDXRYGGRV-UHFFFAOYSA-N , csc:REHONNLQRWTIFF-UHFFFAOYSA-N , csc:GSWAOPJLTADLTN-UHFFFAOYSA-N , csc:ZWEHNKRNPOVVGH-UHFFFAOYSA-N , csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N , csc:SWXVUIWOUIDPGS-UHFFFAOYSA-N , csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N , csc:MVWHGTYKUMDIHL-UHFFFAOYSA-N , csc:OGBQILNBLMPPDP-UHFFFAOYSA-N , csc:PWHULOQIROXLJO-UHFFFAOYSA-N , csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N , csc:CYRMSUTZVYGINF-UHFFFAOYSA-N , csc:VVQNEPGJFQJSBK-UHFFFAOYSA-N , csc:BUGBHKTXTAQXES-UHFFFAOYSA-N , csc:HEDRZPFGACZZDS-UHFFFAOYSA-N , csc:UJBOOUHRTQVGRU-UHFFFAOYSA-N , csc:PXHVJJICTQNCMI-UHFFFAOYSA-N , csc:AFFLGGQVNFXPEV-UHFFFAOYSA-N , csc:FYGHSUNMUKGBRK-UHFFFAOYSA-N , csc:ULYZAYCEDJDHCC-UHFFFAOYSA-N , csc:LGXVIGDEPROXKC-UHFFFAOYSA-N , csc:XNWFRZJHXBZDAG-UHFFFAOYSA-N , csc:NOWKCMXCCJGMRR-UHFFFAOYSA-N , csc:DIOQZVSQGTUSAI-UHFFFAOYSA-N , csc:KXKVLQRXCPHEJC-UHFFFAOYSA-N , csc:KFUSEUYYWQURPO-OWOJBTEDSA-N , csc:HGUFODBRKLSHSI-UHFFFAOYSA-N , csc:TZIHFWKZFHZASV-UHFFFAOYSA-N , csc:PAAZPARNPHGIKF-UHFFFAOYSA-N , csc:YAHNWSSFXMVPOU-UHFFFAOYSA-N , csc:WCYYQNSQJHPVMG-UHFFFAOYSA-N , csc:JEYJJJXOFWNEHN-UHFFFAOYSA-N , csc:IMNFDUFMRHMDMM-UHFFFAOYSA-N , csc:OCJBOOLMMGQPQU-UHFFFAOYSA-N , csc:GWHJZXXIDMPWGX-UHFFFAOYSA-N , csc:WSLDOOZREJYCGB-UHFFFAOYSA-N , csc:PXBRQCKWGAHEHS-UHFFFAOYSA-N , csc:VAYGXNSJCAHWJZ-UHFFFAOYSA-N , csc:RQNWIZPPADIBDY-UHFFFAOYSA-N , csc:KCXMKQUNVWSEMD-UHFFFAOYSA-N , csc:KRHYYFGTRYWZRS-UHFFFAOYSA-N , csc:LHRCREOYAASXPZ-UHFFFAOYSA-N , csc:NIXOWILDQLNWCW-UHFFFAOYSA-N , csc:SECXISVLQFMRJM-UHFFFAOYSA-N , csc:DXBHBZVCASKNBY-UHFFFAOYSA-N , csc:WDECIBYCCFPHNR-UHFFFAOYSA-N , csc:HAXBIWFMXWRORI-UHFFFAOYSA-N , csc:FMMWHPNWAFZXNH-UHFFFAOYSA-N , csc:BDAGIHXWWSANSR-UHFFFAOYSA-N , csc:QPJDMGCKMHUXFD-UHFFFAOYSA-N , csc:LFSAPCRASZRSKS-UHFFFAOYSA-N , csc:UBOXGVDOUJQMTN-UHFFFAOYSA-N , csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N , csc:WBHQEUPUMONIKF-UHFFFAOYSA-N , csc:LCGLNKUTAGEVQW-UHFFFAOYSA-N , csc:LRHPLDYGYMQRHN-UHFFFAOYSA-N , csc:LCXMEXLGMKFLQO-UHFFFAOYSA-N , csc:VNWKTOKETHGBQD-UHFFFAOYSA-N ;
skos:prefLabel "Chemische stoffen die in lucht gemeten worden."@nl .
csc:QWTDNUCVQCZILF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6556 ;
dbo:casNumber "68923-44-4" , "78-78-4" , "70024-92-9" , "68513-65-5" , "92046-46-3" ;
dbo:formula "C5H12" ;
dbo:inchi "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" ;
dbo:iupacName "2-Methylbutane"@en ;
dbo:pubchem "6556"^^xsd:int ;
dbo:smiles "CCC(C)C" ;
dbp:inchikey "QWTDNUCVQCZILF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC4a" ;
skos:prefLabel "2-methylbutaan"@nl .
csc:DPUOLQHDNGRHBS-KTKRTIGZSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5281116 ;
dbo:casNumber "112-86-7" ;
dbo:formula "C22H42O2" ;
dbo:inchi "InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-" ;
dbo:iupacName "(Z)-Docos-13-enoic acid"@en ;
dbo:pubchem "5281116"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "DPUOLQHDNGRHBS-KTKRTIGZSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "erczr" ;
skos:prefLabel "erucazuur"@nl .
csc:KQNPFQTWMSNSAP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6590 ;
dbo:casNumber "79-31-2" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" ;
dbo:iupacName "2-Methylpropanoic acid"@en ;
dbo:pubchem "6590"^^xsd:int ;
dbo:smiles "CC(C)C(=O)O" ;
dbp:inchikey "KQNPFQTWMSNSAP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ibtzr" ;
skos:prefLabel "iso-boterzuur"@nl .
csc:RMLPZKRPSQVRAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11232 ;
dbo:casNumber "563-04-2" ;
dbo:formula "C21H21O4P" ;
dbo:inchi "InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3" ;
dbo:iupacName "tris(3-methylphenyl) phosphate"@en ;
dbo:pubchem "11232"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C" ;
dbp:inchikey "RMLPZKRPSQVRAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TmcsPO4" ;
skos:prefLabel "tri-m-cresylfosfaat"@nl .
csc:DDUIUBPJPOKOMV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13290 ;
dbo:casNumber "841-06-5" ;
dbo:formula "C11H21N5OS" ;
dbo:inchi "InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "N'-(3-methoxypropyl)-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13290"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)NCCCOC)SC" ;
dbp:inchikey "DDUIUBPJPOKOMV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004735 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metptn" ;
skos:prefLabel "methoprotryn"@nl .
csc:WDMKCPIVJOGHBF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:38199 ;
dbo:casNumber "38998-75-3" , "67562-39-4" , "67652-39-5" ;
dbo:formula "C12HCl7O" ;
dbo:inchi "InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H" ;
dbo:iupacName "1,2,3,4,6,7,8-HEPTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "38199"^^xsd:int ;
dbo:smiles "C1=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)OC2=C(C(=C1Cl)Cl)Cl" ;
dbp:inchikey "WDMKCPIVJOGHBF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,4,6,7,8-heptachloordibenzofuran"@nl , " 1,2,3,4,6,7,8-heptachloordibenzofuraan"@nl , "1,2,3,4,6,7,8-heptachloordibenzofuraan (hpcdf)"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_67562-39-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF131" ;
skos:prefLabel "1,2,3,4,6,7,8-heptachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1244"^^xsd:int .
csc:JOPOVCBBYLSVDA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29131 ;
dbo:casNumber "18540-29-9" ;
dbo:formula "Cr+6" ;
dbo:inchi "InChI=1S/Cr/q+6" ;
dbo:iupacName "chromium(+6) cation"@en ;
dbo:pubchem "29131"^^xsd:int ;
dbo:smiles "[Cr+6]" ;
dbp:inchikey "JOPOVCBBYLSVDA-UHFFFAOYSA-N" ;
skos:altLabel "chroom, zeswaardig"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_18540-29-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CrVI" ;
skos:prefLabel "chroom (zeswaardig)"@nl ;
vcs:vmmParameterId "156"^^xsd:int , "2101"^^xsd:int , "1201"^^xsd:int .
csc:RZXMPPFPUUCRFN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7813 ;
dbo:casNumber "26915-12-8" , "106-49-0" , "12221-03-3" , "25640-74-8" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3" ;
dbo:iupacName "4-Methylaniline"@en ;
dbo:pubchem "7813"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)N" ;
dbp:inchikey "RZXMPPFPUUCRFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yAn" ;
skos:prefLabel "4-methylaniline"@nl .
csc:ZUXABONWMNSFBN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2818 ;
dbo:casNumber "5786-21-0" ;
dbo:formula "C18H19ClN4" ;
dbo:inchi "InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3" ;
dbo:iupacName "3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]benzodiazepine"@en ;
dbo:pubchem "2818"^^xsd:int ;
dbo:smiles "CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl" ;
dbp:inchikey "ZUXABONWMNSFBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000072 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clozpne" ;
skos:prefLabel "clozapine"@nl .
csc:HDWLUGYOLUHEMN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13783 ;
dbo:casNumber "62655-72-5" , "61840-20-8" , "973-21-7" ;
dbo:formula "C14H18N2O7" ;
dbo:inchi "InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3" ;
dbo:iupacName "(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate"@en ;
dbo:pubchem "13783"^^xsd:int ;
dbo:smiles "CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C" ;
dbp:inchikey "HDWLUGYOLUHEMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dnbtn" ;
skos:prefLabel "dinobuton"@nl .
csc:JLRGJRBPOGGCBT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5505 ;
dbo:casNumber "64-77-7" , "100735-34-0" ;
dbo:formula "C12H18N2O3S" ;
dbo:inchi "InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)" ;
dbo:iupacName "1-butyl-3-(4-methylphenyl)sulfonylurea"@en ;
dbo:pubchem "5505"^^xsd:int ;
dbo:smiles "CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C" ;
dbp:inchikey "JLRGJRBPOGGCBT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tolbAd" ;
skos:prefLabel "tolbutamide"@nl .
csc:JZUFKLXOESDKRF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3639 ;
dbo:casNumber "58-93-5" , "8049-49-8" , "125727-50-6" ;
dbo:formula "C7H8ClN3O4S2" ;
dbo:inchi "InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)" ;
dbo:iupacName "6-chloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide"@en ;
dbo:pubchem "3639"^^xsd:int ;
dbo:smiles "C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl" ;
dbp:inchikey "JZUFKLXOESDKRF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCltazde" ;
skos:prefLabel "hydrochloorthiazide"@nl .
csc:DHAZIUXMHRHVMP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8047 ;
dbo:casNumber "110-36-1" ;
dbo:formula "C18H36O2" ;
dbo:inchi "InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3" ;
dbo:iupacName "Butyl tetradecanoate"@en ;
dbo:pubchem "8047"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC(=O)OCCCC" ;
dbp:inchikey "DHAZIUXMHRHVMP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yC14aoat" ;
skos:prefLabel "butyltetradecanoaat"@nl .
csc:JKWMSGQKBLHBQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:518682 ;
dbo:casNumber "1303-86-2" ;
dbo:formula "B2O3" ;
dbo:inchi "InChI=1S/B2O3/c3-1-5-2-4" ;
dbo:iupacName "oxo-oxoboranyloxyborane"@en ;
dbo:pubchem "518682"^^xsd:int ;
dbo:smiles "B(=O)OB=O" ;
dbp:inchikey "JKWMSGQKBLHBQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000534 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "B2O3" ;
skos:prefLabel "diboortrioxide"@nl .
csc:CPLXHLVBOLITMK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14792 ;
dbo:casNumber "187036-80-2" , "82375-77-7" , "185461-91-0" , "1309-48-4" , "13589-16-7" , "52933-73-0" ;
dbo:formula "MgO" ;
dbo:inchi "InChI=1S/Mg.O" ;
dbo:iupacName "oxomagnesium"@en ;
dbo:pubchem "14792"^^xsd:int ;
dbo:smiles "O=[Mg]" ;
dbp:inchikey "CPLXHLVBOLITMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000546 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MgO" ;
skos:prefLabel "magnesiumoxide"@nl .
csc:ZXNWYMNKYXUZGM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:94452 ;
dbo:casNumber "33973-59-0" , "826-36-8" ;
dbo:formula "C9H18ClNO" ;
dbo:inchi "InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H" ;
dbo:iupacName "2,2,6,6-Tetramethylpiperidin-4-one hydrochloride"@en ;
dbo:pubchem "94452"^^xsd:int ;
dbo:smiles "CC1(CC(=O)CC(N1)(C)C)C.Cl" ;
dbp:inchikey "ZXNWYMNKYXUZGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001581 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TactnAe" ;
skos:prefLabel "triacetonamine"@nl .
csc:IRMGVPILCPGYNQ-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3017829 ;
dbo:casNumber "68105-02-2" ;
dbo:formula "C30H64BrN" ;
dbo:inchi "InChI=1S/C30H64N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dimethyl-di(tetradecyl)azanium bromide"@en ;
dbo:pubchem "3017829"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-]" ;
dbp:inchikey "IRMGVPILCPGYNQ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDC14yNH4" ;
skos:prefLabel "dimethylditetradecylammonium bromide"@nl .
csc:ZYZCGGRZINLQBL-GWRQVWKTSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:445434 ;
dbo:casNumber "101043-37-2" ;
dbo:formula "C49H74N10O12" ;
dbo:inchi "InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1" ;
dbo:iupacName "(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "445434"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C" ;
dbp:inchikey "ZYZCGGRZINLQBL-GWRQVWKTSA-N" ;
skos:altLabel "microcystine-LR"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC-LR" ;
skos:prefLabel "microcystine-lr"@nl .
csc:PWPJGUXAGUPAHP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71777 ;
dbo:casNumber "103055-07-8" ;
dbo:formula "C17H8Cl2F8N2O3" ;
dbo:inchi "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" ;
dbo:iupacName "N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "71777"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F" ;
dbp:inchikey "PWPJGUXAGUPAHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lufnrn" ;
skos:prefLabel "lufenuron"@nl .
csc:HUTDUHSNJYTCAR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:25572 ;
dbo:casNumber "51025-96-8" , "33712-16-2" , "50642-61-0" , "12771-68-5" ;
dbo:formula "C15H16N2O2" ;
dbo:inchi "InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3" ;
dbo:iupacName "cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol"@en ;
dbo:pubchem "25572"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O" ;
dbp:inchikey "HUTDUHSNJYTCAR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ancmdl" ;
skos:prefLabel "ancymidol"@nl .
csc:XMAYWYJOQHXEEK-ZEQKJWHPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47576 ;
dbo:casNumber "65277-42-1" ;
dbo:formula "C26H28Cl2N4O4" ;
dbo:inchi "InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1" ;
dbo:iupacName "1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone"@en ;
dbo:pubchem "47576"^^xsd:int ;
dbo:smiles "CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl" ;
dbp:inchikey "XMAYWYJOQHXEEK-ZEQKJWHPSA-N" ;
skos:broader csc:CHEMONTID_0001984 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "ketoconazol"@nl .
csc:UHZZMRAGKVHANO-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13836 ;
dbo:casNumber "8073-20-9" , "999-81-5" , "39394-21-3" ;
dbo:formula "C5H13Cl2N" ;
dbo:inchi "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "2-chloroethyl-trimethylazanium chloride"@en ;
dbo:pubchem "13836"^^xsd:int ;
dbo:smiles "C[N+](C)(C)CCCl.[Cl-]" ;
dbp:inchikey "UHZZMRAGKVHANO-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClmqCl" ;
skos:prefLabel "chloormequatchloride"@nl .
csc:PTJQVJQAZSLKJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:154482 ;
dbo:casNumber "82865-89-2" , "36355-01-8" ;
dbo:formula "C12H4Br6" ;
dbo:inchi "InChI=1S/C12H4Br6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H" ;
dbo:iupacName "1,2,3-tribromo-4-(2,3,4-tribromophenyl)benzene"@en ;
dbo:pubchem "154482"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Br)Br)Br)Br)Br)Br" ;
dbp:inchikey "PTJQVJQAZSLKJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:exactMatch wise:CAS_36355-01-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxBr11bFy" ;
skos:prefLabel "hexabroom-1,1'-bifenyl"@nl ;
vcs:vmmParameterId "958"^^xsd:int .
csc:VYXSBFYARXAAKO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13806 ;
dbo:casNumber "989-38-8" ;
dbo:formula "C28H31ClN2O3" ;
dbo:inchi "InChI=1S/C28H30N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29H,6-8H2,1-5H3;1H" ;
dbo:iupacName "ethyl 2-(3-ethylamino-6-ethylimino-2,7-dimethylxanthen-9-yl)benzoate hydrochloride"@en ;
dbo:pubchem "13806"^^xsd:int ;
dbo:smiles "CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-]" ;
dbp:inchikey "VYXSBFYARXAAKO-UHFFFAOYSA-N" ;
skos:altLabel "c.i. basic red 1"@nl ;
skos:broader csc:CHEMONTID_0000200 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cibrd1" ;
skos:prefLabel "C.I. Basic Red 1"@nl .
csc:CXJSOEPQXUCJSA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8381 ;
dbo:casNumber "119-12-0" ;
dbo:formula "C14H17N2O4PS" ;
dbo:inchi "InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3" ;
dbo:iupacName "6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one"@en ;
dbo:pubchem "8381"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2" ;
dbp:inchikey "CXJSOEPQXUCJSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004623 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdfton" ;
skos:prefLabel "pyridafention"@nl .
csc:APTZNLHMIGJTEW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:182951 ;
dbo:casNumber "129630-19-9" ;
dbo:formula "C15H13Cl2F3N2O4" ;
dbo:inchi "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" ;
dbo:iupacName "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate"@en ;
dbo:pubchem "182951"^^xsd:int ;
dbo:smiles "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" ;
dbp:inchikey "APTZNLHMIGJTEW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrffnC2y" ;
skos:prefLabel "pyraflufen-ethyl"@nl .
csc:HNRMPXKDFBEGFZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6403 ;
dbo:casNumber "75-83-2" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" ;
dbo:iupacName "2,2-Dimethylbutane"@en ;
dbo:pubchem "6403"^^xsd:int ;
dbo:smiles "CCC(C)(C)C" ;
dbp:inchikey "HNRMPXKDFBEGFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yC4a" ;
skos:prefLabel "dimethylbutaan"@nl .
csc:GLYJVQDYLFAUFC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8090 ;
dbo:casNumber "111-06-8" ;
dbo:formula "C20H40O2" ;
dbo:inchi "InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3" ;
dbo:iupacName "Butyl hexadecanoate"@en ;
dbo:pubchem "8090"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC(=O)OCCCC" ;
dbp:inchikey "GLYJVQDYLFAUFC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yC16aoat" ;
skos:prefLabel "butylhexadecanoaat"@nl .
csc:IAZDPXIOMUYVGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:679 ;
dbo:casNumber "8070-53-9" , "67-68-5" , "164071-41-4" ;
dbo:formula "C2H6OS" ;
dbo:inchi "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" ;
dbo:iupacName "Methylsulfinylmethane"@en ;
dbo:pubchem "679"^^xsd:int ;
dbo:smiles "CS(=O)C" ;
dbp:inchikey "IAZDPXIOMUYVGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000491 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1ySO" ;
skos:prefLabel "dimethylsulfoxide"@nl .
csc:WABPQHHGFIMREM-RKEGKUSMSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328551 ;
dbo:casNumber "15067-28-4" ;
dbo:formula "Pb" ;
dbo:inchi "InChI=1S/Pb/i1+7" ;
dbo:iupacName "lead-214"@en ;
dbo:pubchem "6328551"^^xsd:int ;
dbo:smiles "[Pb]" ;
dbp:inchikey "WABPQHHGFIMREM-RKEGKUSMSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pb214" ;
skos:prefLabel "lood 214"@nl .
csc:RESBOJMQOGJOMW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61657 ;
dbo:casNumber "13678-59-6" ;
dbo:formula "C6H8OS" ;
dbo:inchi "InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3" ;
dbo:iupacName "2-methyl-5-methylsulfanylfuran"@en ;
dbo:pubchem "61657"^^xsd:int ;
dbo:smiles "CC1=CC=C(O1)SC" ;
dbp:inchikey "RESBOJMQOGJOMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y5C1ytofr" ;
skos:prefLabel "2-methyl-5-(methylthio)furan"@nl .
csc:YFTHZRPMJXBUME-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7616 ;
dbo:casNumber "112488-51-4" , "102-69-2" ;
dbo:formula "C9H21N" ;
dbo:inchi "InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3" ;
dbo:iupacName "N,N-dipropylpropan-1-amine"@en ;
dbo:pubchem "7616"^^xsd:int ;
dbo:smiles "CCCN(CCC)CCC" ;
dbp:inchikey "YFTHZRPMJXBUME-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC3yAe" ;
skos:prefLabel "tripropylamine"@nl .
csc:KAATUXNTWXVJKI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2912 ;
dbo:casNumber "69865-47-0" , "186554-45-0" , "88161-75-5" , "71697-59-1" , "137497-61-1" , "159940-28-0" , "52315-07-8" , "146909-55-9" , "142443-95-6" , "139203-31-9" , "97955-44-7" , "86752-99-0" , "86753-92-6" ;
dbo:formula "C22H19Cl2NO3" ;
dbo:inchi "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "2912"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" ;
dbp:inchikey "KAATUXNTWXVJKI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:exactMatch wise:CAS_52315-07-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cypmtn" ;
skos:prefLabel "cypermethrin"@nl ;
vcs:vmmParameterId "1075"^^xsd:int .
csc:ZPTVNYMJQHSSEA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7473 ;
dbo:casNumber "99-99-0" ;
dbo:formula "C7H7NO2" ;
dbo:inchi "InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3" ;
dbo:iupacName "['N,N-dihydroxy-4-methylaniline', '1-Methyl-4-nitrobenzene']"@en ;
dbo:pubchem "7473"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "ZPTVNYMJQHSSEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2Tol" ;
skos:prefLabel "4-nitrotolueen"@nl .
csc:LSNNMFCWUKXFEE-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1099 ;
dbo:casNumber "14265-45-3" ;
dbo:formula "O3S-2" ;
dbo:inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2" ;
dbo:iupacName "sulfite"@en ;
dbo:pubchem "1099"^^xsd:int ;
dbo:smiles "[O-]S(=O)[O-]" ;
dbp:inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001078 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SO3" ;
skos:prefLabel "sulfiet"@nl .
csc:JUJWROOIHBZHMG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1049 ;
dbo:casNumber "152758-95-7" , "45410-39-7" , "6999-00-4" , "82005-06-9" , "163392-20-9" , "85404-19-9" , "110-86-1" , "85404-20-2" , "62301-32-0" ;
dbo:formula "C5H5N" ;
dbo:inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" ;
dbo:iupacName "Pyridine"@en ;
dbo:pubchem "1049"^^xsd:int ;
dbo:smiles "C1=CC=NC=C1" ;
dbp:inchikey "JUJWROOIHBZHMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdne" ;
skos:prefLabel "pyridine"@nl .
csc:SJXPQSRCFCPWQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:117746 ;
dbo:casNumber "2682-20-4" , "26172-54-3" , "116680-95-6" ;
dbo:formula "C4H6ClNOS" ;
dbo:inchi "InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H" ;
dbo:iupacName "2-methyl-1,2-thiazol-3-one hydrochloride"@en ;
dbo:pubchem "117746"^^xsd:int ;
dbo:smiles "CN1C(=O)C=CS1.Cl" ;
dbp:inchikey "SJXPQSRCFCPWQQ-UHFFFAOYSA-N" ;
skos:altLabel "2-methyl-2H-isothiazool-3-on"@nl ;
skos:broader csc:CHEMONTID_0000095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y2Hitaz3o" ;
skos:prefLabel "2-methyl-2h-isothiazool-3-on"@nl .
csc:UXOOFXUEODCAIP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104942 ;
dbo:casNumber "60044-26-0" ;
dbo:formula "C12H4Br6" ;
dbo:inchi "InChI=1S/C12H4Br6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H" ;
dbo:iupacName "1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene"@en ;
dbo:pubchem "104942"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Br)Br)Br)C2=CC(=C(C(=C2)Br)Br)Br" ;
dbp:inchikey "UXOOFXUEODCAIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB169" ;
skos:prefLabel "3,3',4,4',5,5'-hexabroombifenyl"@nl .
csc:KCOCSOWTADCKOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91596 ;
dbo:casNumber "30043-49-3" ;
dbo:formula "C7H12N4O3S2" ;
dbo:inchi "InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)" ;
dbo:iupacName "1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea"@en ;
dbo:pubchem "91596"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC" ;
dbp:inchikey "KCOCSOWTADCKOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000093 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etdmrn" ;
skos:prefLabel "ethidimuron"@nl .
csc:ZRKMQKLGEQPLNS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8067 ;
dbo:casNumber "110-66-7" ;
dbo:formula "C5H12S" ;
dbo:inchi "InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3" ;
dbo:iupacName "pentane-1-thiol"@en ;
dbo:pubchem "8067"^^xsd:int ;
dbo:smiles "CCCCCS" ;
dbp:inchikey "ZRKMQKLGEQPLNS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C5atol" ;
skos:prefLabel "1-pentaanthiol"@nl .
csc:XSWVFEQKZFUULO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:114809 ;
dbo:casNumber "71133-14-7" ;
dbo:formula "C2HBrCl2O2" ;
dbo:inchi "InChI=1S/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)" ;
dbo:iupacName "2-bromo-2,2-dichloroacetic acid"@en ;
dbo:pubchem "114809"^^xsd:int ;
dbo:smiles "C(=O)(C(Cl)(Cl)Br)O" ;
dbp:inchikey "XSWVFEQKZFUULO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrDClHAc" ;
skos:prefLabel "broomdichloorazijnzuur"@nl .
csc:XRQHTUDGPWMPKX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17424 ;
dbo:casNumber "2588-03-6" ;
dbo:formula "C7H17O3PS3" ;
dbo:inchi "InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3" ;
dbo:iupacName "diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "17424"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCS(=O)CC" ;
dbp:inchikey "XRQHTUDGPWMPKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "forsfOxd" ;
skos:prefLabel "foraat-sulfoxide"@nl .
csc:UREZNYTWGJKWBI-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8478 ;
dbo:casNumber "5929-09-9" , "39362-38-4" , "121-54-0" ;
dbo:formula "C27H42ClNO2" ;
dbo:inchi "InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride"@en ;
dbo:pubchem "8478"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]" ;
dbp:inchikey "UREZNYTWGJKWBI-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BentnmCl" ;
skos:prefLabel "benzethonium chloride"@nl .
csc:BGEHHAVMRVXCGR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:25311 ;
dbo:casNumber "10486-19-8" ;
dbo:formula "C13H26O" ;
dbo:inchi "InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3" ;
dbo:iupacName "TRIDECANAL"@en ;
dbo:pubchem "25311"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCC=O" ;
dbp:inchikey "BGEHHAVMRVXCGR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C13al" ;
skos:prefLabel "tridecanal"@nl .
csc:ORFOPKXBNMVMKC-DWVKKRMSSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5481173 ;
dbo:casNumber "72558-82-8" ;
dbo:formula "C22H22N6O7S2" ;
dbo:inchi "InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1" ;
dbo:iupacName "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "5481173"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]" ;
dbp:inchikey "ORFOPKXBNMVMKC-DWVKKRMSSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ceftzdme" ;
skos:prefLabel "ceftazidime"@nl .
csc:ICKWICRCANNIBI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7311 ;
dbo:casNumber "96-76-4" , "50356-26-8" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3" ;
dbo:iupacName "2,4-ditert-butylphenol"@en ;
dbo:pubchem "7311"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C" ;
dbp:inchikey "ICKWICRCANNIBI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DttC4yFol" ;
skos:prefLabel "2,4-di-tertiair-butylfenol"@nl .
csc:VPNYRYCIDCJBOM-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11693 ;
dbo:casNumber "596-51-0" , "53808-86-9" ;
dbo:formula "C19H28BrNO3" ;
dbo:inchi "InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1" ;
dbo:iupacName "(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide"@en ;
dbo:pubchem "11693"^^xsd:int ;
dbo:smiles "C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]" ;
dbp:inchikey "VPNYRYCIDCJBOM-UHFFFAOYSA-M" ;
skos:altLabel "pyrolaat"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrlt" , "Brprlt" ;
skos:prefLabel "broompyrolaat"@nl .
csc:HAMGRBXTJNITHG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12228 ;
dbo:casNumber "30108-95-3" , "624-83-9" ;
dbo:formula "C2H3NO" ;
dbo:inchi "InChI=1S/C2H3NO/c1-3-2-4/h1H3" ;
dbo:iupacName "methylimino-oxomethane"@en ;
dbo:pubchem "12228"^^xsd:int ;
dbo:smiles "CN=C=O" ;
dbp:inchikey "HAMGRBXTJNITHG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000501 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yicnt" ;
skos:prefLabel "methylisocyanaat"@nl .
csc:KWIXNFOTNVKIGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:22691 ;
dbo:casNumber "6283-25-6" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2" ;
dbo:iupacName "2-Chloro-5-nitroaniline"@en ;
dbo:pubchem "22691"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])N)Cl" ;
dbp:inchikey "KWIXNFOTNVKIGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl5NO2An" ;
skos:prefLabel "2-chloor-5-nitroaniline"@nl .
csc:KZTYYGOKRVBIMI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31386 ;
dbo:casNumber "127-63-9" ;
dbo:formula "C12H10O2S" ;
dbo:inchi "InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "phenylsulfonylbenzene"@en ;
dbo:pubchem "31386"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2" ;
dbp:inchikey "KZTYYGOKRVBIMI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfysfn" ;
skos:prefLabel "difenylsulfon"@nl .
csc:PVFOMCVHYWHZJE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6420 ;
dbo:casNumber "76-02-8" ;
dbo:formula "C2Cl4O" ;
dbo:inchi "InChI=1S/C2Cl4O/c3-1(7)2(4,5)6" ;
dbo:iupacName "2,2,2-trichloroacetyl chloride"@en ;
dbo:pubchem "6420"^^xsd:int ;
dbo:smiles "C(=O)(C(Cl)(Cl)Cl)Cl" ;
dbp:inchikey "PVFOMCVHYWHZJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001022 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4ClC2al" ;
skos:prefLabel "trichlooracetylchloride"@nl .
csc:KEWNKZNZRIAIAK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13636 ;
dbo:casNumber "935-95-5" ;
dbo:formula "C6H2Cl4O" ;
dbo:inchi "InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H" ;
dbo:iupacName "2,3,5,6-TETRACHLOROPHENOL"@en ;
dbo:pubchem "13636"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl" ;
dbp:inchikey "KEWNKZNZRIAIAK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002771 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2356T4ClFol" ;
skos:prefLabel "2,3,5,6-tetrachloorfenol"@nl .
csc:VSCWAEJMTAWNJL-UHFFFAOYSA-K
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24012 ;
dbo:casNumber "32056-15-8" , "101707-17-9" , "64441-77-6" , "245064-40-8" , "8012-66-6" , "39380-80-8" , "1327-41-9" , "143230-54-0" , "79586-02-0" , "56803-01-1" , "162535-15-1" , "135864-70-9" , "195436-38-5" , "41630-01-7" , "56831-66-4" , "11097-68-0" , "125690-94-0" , "144388-28-3" , "7446-70-0" , "37226-46-3" , "84861-98-3" , "167140-05-8" , "114442-10-3" ;
dbo:formula "AlCl3" ;
dbo:inchi "InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3" ;
dbo:iupacName "['trichloroalumane', 'Aluminum trichloride']"@en ;
dbo:pubchem "24012"^^xsd:int ;
dbo:smiles "[Al](Cl)(Cl)Cl" ;
dbp:inchikey "VSCWAEJMTAWNJL-UHFFFAOYSA-K" ;
skos:broader csc:CHEMONTID_0000573 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AlHOxCl" ;
skos:prefLabel "aluminiumhydroxychloride"@nl .
csc:JYQUHIFYBATCCY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26124 ;
dbo:casNumber "54511-12-5" , "13593-03-8" , "37331-41-2" ;
dbo:formula "C12H15N2O3PS" ;
dbo:inchi "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-quinoxalin-2-yloxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "26124"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1" ;
dbp:inchikey "JYQUHIFYBATCCY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000486 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinfs" ;
skos:prefLabel "quinalfos"@nl .
csc:WVLBCYQITXONBZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10541 ;
dbo:casNumber "91316-44-8" , "512-56-1" ;
dbo:formula "C3H9O4P" ;
dbo:inchi "InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3" ;
dbo:iupacName "['hydroxy-trimethoxyphosphanium', 'Trimethyl phosphate']"@en ;
dbo:pubchem "10541"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC" ;
dbp:inchikey "WVLBCYQITXONBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yPO4" ;
skos:prefLabel "trimethylfosfaat"@nl .
csc:OAYXUHPQHDHDDZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8177 ;
dbo:casNumber "112-34-5" , "210818-08-9" ;
dbo:formula "C8H18O3" ;
dbo:inchi "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" ;
dbo:iupacName "2-(2-Butoxyethoxy)ethanol"@en ;
dbo:pubchem "8177"^^xsd:int ;
dbo:smiles "CCCCOCCOCCO" ;
dbp:inchikey "OAYXUHPQHDHDDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C4oxC2oxC2" ;
skos:prefLabel "2-(2-butoxyethoxy)ethanol"@nl .
csc:RYHBNJHYFVUHQT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:31275 ;
dbo:casNumber "39449-24-6" , "54841-74-6" , "123-91-1" , "28347-88-8" , "28347-91-3" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" ;
dbo:iupacName "1,4-Dioxane"@en ;
dbo:pubchem "31275"^^xsd:int ;
dbo:smiles "C1COCCO1" ;
dbp:inchikey "RYHBNJHYFVUHQT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_008 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001313 ;
skos:exactMatch wise:CAS_123-91-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DOxan" ;
skos:prefLabel "1,4-dioxaan"@nl ;
vcs:vmmParameterId "861"^^xsd:int .
csc:YEHHNHSVUHPNNT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31393 ;
dbo:casNumber "127-90-2" ;
dbo:formula "C6H6Cl8O" ;
dbo:inchi "InChI=1S/C6H6Cl8O/c7-3(1-5(9,10)11)15-4(8)2-6(12,13)14/h3-4H,1-2H2" ;
dbo:iupacName "1,1,1,3-tetrachloro-3-(1,3,3,3-tetrachloropropoxy)propane"@en ;
dbo:pubchem "31393"^^xsd:int ;
dbo:smiles "C(C(OC(CC(Cl)(Cl)Cl)Cl)Cl)C(Cl)(Cl)Cl" ;
dbp:inchikey "YEHHNHSVUHPNNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "D2333T4ClC3y" ;
skos:prefLabel "di-(2,3,3,3-tetrachloorpropyl)ether"@nl .
csc:FBUKVWPVBMHYJY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8158 ;
dbo:casNumber "58253-02-4" , "68937-75-7" , "112-05-0" ;
dbo:formula "C9H18O2" ;
dbo:inchi "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)" ;
dbo:iupacName "Nonanoic acid"@en ;
dbo:pubchem "8158"^^xsd:int ;
dbo:smiles "CCCCCCCCC(=O)O" ;
dbp:inchikey "FBUKVWPVBMHYJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C9azr" ;
skos:prefLabel "nonaanzuur"@nl .
csc:FOXFZRUHNHCZPX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:30479 ;
dbo:casNumber "21087-64-9" ;
dbo:formula "C8H14N4OS" ;
dbo:inchi "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" ;
dbo:iupacName "4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one"@en ;
dbo:pubchem "30479"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=NN=C(N(C1=O)N)SC" ;
dbp:inchikey "FOXFZRUHNHCZPX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:exactMatch wise:CAS_21087-64-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metbzn" ;
skos:prefLabel "metribuzin"@nl ;
vcs:vmmParameterId "1026"^^xsd:int .
csc:ZAIDIVBQUMFXEC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11245 ;
dbo:casNumber "563-58-6" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3" ;
dbo:iupacName "1,1-dichloroprop-1-ene"@en ;
dbo:pubchem "11245"^^xsd:int ;
dbo:smiles "CC=C(Cl)Cl" ;
dbp:inchikey "ZAIDIVBQUMFXEC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001168 ;
skos:exactMatch wise:CAS_563-58-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DClC3e" ;
skos:prefLabel "1,1-dichloorpropeen"@nl ;
vcs:vmmParameterId "544"^^xsd:int .
csc:VPAYJEUHKVESSD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16843 ;
dbo:casNumber "263005-66-9" , "2314-97-8" ;
dbo:formula "CF3I" ;
dbo:inchi "InChI=1S/CF3I/c2-1(3,4)5" ;
dbo:iupacName "trifluoro-iodomethane"@en ;
dbo:pubchem "16843"^^xsd:int ;
dbo:smiles "C(F)(F)(F)I" ;
dbp:inchikey "VPAYJEUHKVESSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFIC1a" ;
skos:prefLabel "trifluorjoodmethaan"@nl .
csc:JJYPMNFTHPTTDI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7934 ;
dbo:casNumber "108-44-1" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3" ;
dbo:iupacName "3-Methylaniline"@en ;
dbo:pubchem "7934"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)N" ;
dbp:inchikey "JJYPMNFTHPTTDI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yAn" ;
skos:prefLabel "3-methylaniline"@nl .
csc:LHRCREOYAASXPZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II (D2)"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:5889 ;
dbo:casNumber "56-56-4" , "53-70-3" ;
dbo:formula "C22H14" ;
dbo:inchi "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H" ;
dbo:iupacName "naphtho[1,2-b]phenanthrene"@en ;
dbo:pubchem "5889"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32" ;
dbp:inchikey "LHRCREOYAASXPZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "dibenzo(a,h)an-traceen"@nl , "dibenzo(a,h)antraceen"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:exactMatch wise:CAS_53-70-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBahAnt" ;
skos:prefLabel "dibenzo(a,h)anthraceen"@nl ;
vcs:vmmParameterId "426"^^xsd:int , "1428"^^xsd:int .
csc:NIWWFAAXEMMFMS-IGMARMGPSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167403 ;
dbo:casNumber "15758-32-4" ;
dbo:formula "Cm" ;
dbo:inchi "InChI=1S/Cm/i1+0" ;
dbo:iupacName "curium-247"@en ;
dbo:pubchem "167403"^^xsd:int ;
dbo:smiles "[Cm]" ;
dbp:inchikey "NIWWFAAXEMMFMS-IGMARMGPSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cm247" ;
skos:prefLabel "curium 247"@nl .
csc:IFEJLMHZNQJGQU-UDEWSXLWSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436024 ;
dbo:casNumber "40665-92-7" , "55028-72-3" ;
dbo:formula "C22H28ClNaO6" ;
dbo:inchi "InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19?,20+,21-;/m1./s1" ;
dbo:iupacName "sodium (Z)-7-[(1R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate"@en ;
dbo:pubchem "6436024"^^xsd:int ;
dbo:smiles "C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)[O-])O.[Na+]" ;
dbp:inchikey "IFEJLMHZNQJGQU-UDEWSXLWSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cloptnl" ;
skos:prefLabel "cloprostenol"@nl .
csc:LUZDYPLAQQGJEA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7119 ;
dbo:casNumber "93-04-9" ;
dbo:formula "C11H10O" ;
dbo:inchi "InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3" ;
dbo:iupacName "2-Methoxynaphthalene"@en ;
dbo:pubchem "7119"^^xsd:int ;
dbo:smiles "COC1=CC2=CC=CC=C2C=C1" ;
dbp:inchikey "LUZDYPLAQQGJEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1oxNaf" ;
skos:prefLabel "2-methoxynaftaleen"@nl .
csc:CBLVUXPPNHUKDE-QBFSEMIESA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3034433 ;
dbo:casNumber "55634-91-8" ;
dbo:formula "C17H25NO5" ;
dbo:inchi "InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,14,18H,2,6,8-10H2,1,3-5H3/b13-11-" ;
dbo:iupacName "methyl (5Z)-2,2-dimethyl-4,6-dioxo-5-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1-carboxylate"@en ;
dbo:pubchem "3034433"^^xsd:int ;
dbo:smiles "CCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NOCC=C" ;
dbp:inchikey "CBLVUXPPNHUKDE-QBFSEMIESA-N" ;
skos:broader csc:CHEMONTID_0000133 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "allxdm" ;
skos:prefLabel "alloxydim"@nl .
csc:IGLNJRXAVVLDKE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5357696 ;
dbo:casNumber "7440-17-7" , "15438-27-4" , "22438-27-3" ;
dbo:formula "Rb" ;
dbo:inchi "InChI=1S/Rb" ;
dbo:iupacName "RUBIDIUM"@en ;
dbo:pubchem "5357696"^^xsd:int ;
dbo:smiles "[Rb]" ;
dbp:inchikey "IGLNJRXAVVLDKE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Rb" ;
skos:prefLabel "rubidium"@nl .
csc:OZVJKTHTULCNHB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11712 ;
dbo:casNumber "598-16-3" ;
dbo:formula "C2HBr3" ;
dbo:inchi "InChI=1S/C2HBr3/c3-1-2(4)5/h1H" ;
dbo:iupacName "1,1,2-tribromoethene"@en ;
dbo:pubchem "11712"^^xsd:int ;
dbo:smiles "C(=C(Br)Br)Br" ;
dbp:inchikey "OZVJKTHTULCNHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TBrC2e" ;
skos:prefLabel "tribroometheen"@nl .
csc:BGDCQZFFNFXYQC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:83315 ;
dbo:casNumber "13290-74-9" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3" ;
dbo:iupacName "1-Chloro-2-methyl-4-nitrobenzene"@en ;
dbo:pubchem "83315"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)[N+](=O)[O-])Cl" ;
dbp:inchikey "BGDCQZFFNFXYQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl5NO2Tol" ;
skos:prefLabel "2-chloor-5-nitrotolueen"@nl .
csc:VWGNFIQXBYRDCH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67150 ;
dbo:casNumber "122-95-2" ;
dbo:formula "C10H14O2" ;
dbo:inchi "InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "1,4-Diethoxybenzene"@en ;
dbo:pubchem "67150"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)OCC" ;
dbp:inchikey "VWGNFIQXBYRDCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC2oxBen" ;
skos:prefLabel "1,4-diethoxybenzeen"@nl .
csc:SKDNDVDHYMEGNJ-VURMDHGXSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6433494 ;
dbo:casNumber "7166-19-0" ;
dbo:formula "C8H6BrNO2" ;
dbo:inchi "InChI=1S/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H/b8-6-" ;
dbo:iupacName "[(E)-2-bromo-2-nitroethenyl]benzene"@en ;
dbo:pubchem "6433494"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C=C([N+](=O)[O-])Br" ;
dbp:inchikey "SKDNDVDHYMEGNJ-VURMDHGXSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bBrbNO2srn" ;
skos:prefLabel "beta-broom-beta-nitrostyreen"@nl .
csc:PJDFLNIOAUIZSL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5665 ;
dbo:casNumber "74046-07-4" , "60643-86-9" ;
dbo:formula "C6H11NO2" ;
dbo:inchi "InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)" ;
dbo:iupacName "4-aminohex-5-enoic acid"@en ;
dbo:pubchem "5665"^^xsd:int ;
dbo:smiles "C=CC(CCC(=O)O)N" ;
dbp:inchikey "PJDFLNIOAUIZSL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001880 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vigbtne" ;
skos:prefLabel "vigabatrine"@nl .
csc:ZOCSXAVNDGMNBV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3352 ;
dbo:casNumber "120068-37-3" ;
dbo:formula "C12H4Cl2F6N4OS" ;
dbo:inchi "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" ;
dbo:iupacName "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile"@en ;
dbo:pubchem "3352"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" ;
dbp:inchikey "ZOCSXAVNDGMNBV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fipnl" ;
skos:prefLabel "fipronil"@nl .
csc:YVGGHNCTFXOJCH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3036 ;
dbo:casNumber "50-29-3" ;
dbo:formula "C14H9Cl5" ;
dbo:inchi "InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H" ;
dbo:iupacName "1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene"@en ;
dbo:pubchem "3036"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl" ;
dbp:inchikey "YVGGHNCTFXOJCH-UHFFFAOYSA-N" ;
skos:altLabel "p,p'-ddt"@nl , "p,p\uFFFD-ddt"@nl , "4,4'-dichloordifenyltrichloorethaan"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_50-29-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DDT" ;
skos:prefLabel "pp'dichloordifenyltrichloorethaan"@nl ;
vcs:vmmParameterId "263"^^xsd:int .
csc:WEEGYLXZBRQIMU-WAAGHKOSSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
dbo:casNumber "10458-11-4" , "8024-53-1" , "470-82-6" , "8024-52-0" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+" ;
dbo:iupacName "4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane"@en ;
dbo:smiles "0" ;
dbp:inchikey "WEEGYLXZBRQIMU-WAAGHKOSSA-N" ;
skos:broader csc:CHEMONTID_0002012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "18cinole" ;
skos:prefLabel "1,8-cineole"@nl .
csc:OROAFUQRIXKEMV-LDADJPATSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281037 ;
dbo:casNumber "133040-01-4" ;
dbo:formula "C23H24N2O4S" ;
dbo:inchi "InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+" ;
dbo:iupacName "4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid"@en ;
dbo:pubchem "5281037"^^xsd:int ;
dbo:smiles "CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O" ;
dbp:inchikey "OROAFUQRIXKEMV-LDADJPATSA-N" ;
skos:broader csc:CHEMONTID_0002565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "epstn" ;
skos:prefLabel "eprosartan"@nl .
csc:CCEKAJIANROZEO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:77797 ;
dbo:casNumber "4151-50-2" ;
dbo:formula "C10H6F17NO2S" ;
dbo:inchi "InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3" ;
dbo:iupacName "N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide"@en ;
dbo:pubchem "77797"^^xsd:int ;
dbo:smiles "CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "CCEKAJIANROZEO-UHFFFAOYSA-N" ;
skos:altLabel "n-ethyl perfluoroctaansulfonamide"@nl , "n-ethylperfluor-n-octaansulfonamide (etpfosa)"@nl , "N-ethylperfluoroctaansulfonamide"@nl , "N-ethyl perfluoroctaansulfonamide"@nl , "n-ethylperfluoroctaan-1-sulfonamide (etpfosa)"@nl ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EtFOSA" , "EtPFOSA" ;
skos:prefLabel "n-ethylperfluor-n-octaansulfonamide"@nl .
csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II D5 'kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'"@nl , "VLAR III (D3) 'Kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'"@nl , "VLAR III (D3, diverse art) 'Co'"@nl , "VLAR II bijl. 4.4.2 'kobalt en zijn verbindingen, uitgedrukt in Co'"@nl ;
rdfs:seeAlso compound:104730 ;
dbo:casNumber "16610-75-6" , "7440-48-4" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co" ;
dbo:iupacName "Cobalt"@en ;
dbo:pubchem "104730"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "GUTLYIVDDKVIGB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "kobalt (co)"@nl , "kobalt"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)"@nl ;
skos:exactMatch wise:CAS_7440-48-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co" ;
skos:prefLabel "Kobalt (Co)"@nl ;
vcs:vmmParameterId "161"^^xsd:int , "162"^^xsd:int , "1928"^^xsd:int , "160"^^xsd:int .
csc:SAPGTCDSBGMXCD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91683 ;
dbo:casNumber "75872-04-7" , "109023-55-4" , "63284-71-9" ;
dbo:formula "C17H12ClFN2O" ;
dbo:inchi "InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H" ;
dbo:iupacName "(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol"@en ;
dbo:pubchem "91683"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl" ;
dbp:inchikey "SAPGTCDSBGMXCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nuarml" ;
skos:prefLabel "nuarimol"@nl .
csc:XXROGKLTLUQVRX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7858 ;
dbo:casNumber "107-18-6" ;
dbo:formula "C3H6O" ;
dbo:inchi "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" ;
dbo:iupacName "prop-2-en-1-ol"@en ;
dbo:pubchem "7858"^^xsd:int ;
dbo:smiles "C=CCO" ;
dbp:inchikey "XXROGKLTLUQVRX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "allachl" ;
skos:prefLabel "allylalcohol"@nl .
csc:JHWNWJKBPDFINM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13690 ;
dbo:casNumber "947-04-6" , "25038-74-8" , "115296-76-9" , "125081-69-8" , "161865-23-2" , "148308-40-1" , "115296-77-0" , "70099-82-0" ;
dbo:formula "C12H23NO" ;
dbo:inchi "InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)" ;
dbo:iupacName "1-azacyclotridecan-2-one"@en ;
dbo:pubchem "13690"^^xsd:int ;
dbo:smiles "C1CCCCCC(=O)NCCCCC1" ;
dbp:inchikey "JHWNWJKBPDFINM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000064 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azccC13on2" ;
skos:prefLabel "azacyclotridecan-2-on"@nl .
csc:NTIZESTWPVYFNL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7909 ;
dbo:casNumber "108-10-1" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" ;
dbo:iupacName "4-Methylpentan-2-one"@en ;
dbo:pubchem "7909"^^xsd:int ;
dbo:smiles "CC(C)CC(=O)C" ;
dbp:inchikey "NTIZESTWPVYFNL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_007 , co:LUC_IV_000 ;
skos:altLabel "4-methyl-2-pentanon (mibk)"@nl , "4-methyl-2-pentanon (MIBK)"@nl ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y2C5on" ;
skos:prefLabel "4-methyl-2-pentanon"@nl .
csc:YTDHEFNWWHSXSU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18998 ;
dbo:casNumber "3481-20-7" ;
dbo:formula "C6H3Cl4N" ;
dbo:inchi "InChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2" ;
dbo:iupacName "2,3,5,6-Tetrachloroaniline"@en ;
dbo:pubchem "18998"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)N)Cl)Cl" ;
dbp:inchikey "YTDHEFNWWHSXSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2356T4ClAn" ;
skos:prefLabel "2,3,5,6-tetrachlooraniline"@nl .
csc:VTNQPKFIQCLBDU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1988 ;
dbo:casNumber "34256-82-1" , "123113-74-6" ;
dbo:formula "C14H20ClNO2" ;
dbo:inchi "InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3" ;
dbo:iupacName "2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide"@en ;
dbo:pubchem "1988"^^xsd:int ;
dbo:smiles "CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C" ;
dbp:inchikey "VTNQPKFIQCLBDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_34256-82-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actCl" ;
skos:prefLabel "acetochloor"@nl ;
vcs:vmmParameterId "857"^^xsd:int .
csc:OWQCHLFKOGVODW-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25210512 ;
dbo:casNumber "73606-19-6" ;
dbo:formula "C8ClF16KO4S" ;
dbo:inchi "InChI=1S/C8HClF16O4S.K/c9-5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)29-7(22,23)8(24,25)30(26,27)28;/h(H,26,27,28);/q;+1/p-1" ;
dbo:iupacName "potassium;2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexoxy)-1,1,2,2-tetrafluoroethanesulfonate"@en ;
dbo:pubchem "25210512"^^xsd:int ;
dbo:smiles "C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F.[K+]" ;
dbp:inchikey "OWQCHLFKOGVODW-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001179 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9Cl-PF3ONS" ;
skos:prefLabel "9-Chloorhexadecafluor-3-oxanonaansulfonzuur"@nl .
csc:QRTMTZAUGTXZOA-ZGYDFYMOSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282371 ;
dbo:casNumber "6153-64-6" ;
dbo:formula "C22H28N2O11" ;
dbo:inchi "InChI=1S/C22H24N2O9.2H2O/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;2*1H2/b20-11-;;/t12-,13-,14+,17+,21-,22+;;/m1../s1" ;
dbo:iupacName "(2Z,4S,4aR,5S,5aR,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrate"@en ;
dbo:pubchem "5282371"^^xsd:int ;
dbo:smiles "CC1(C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.O.O" ;
dbp:inchikey "QRTMTZAUGTXZOA-ZGYDFYMOSA-N" ;
skos:broader csc:CHEMONTID_0000181 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OxT4ccne" ;
skos:prefLabel "oxytetracycline"@nl .
csc:JSFUMBWFPQSADC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17190 ;
dbo:casNumber "2475-45-8" ;
dbo:formula "C14H12N4O2" ;
dbo:inchi "InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2" ;
dbo:iupacName "1,4,5,8-tetraaminoanthracene-9,10-dione"@en ;
dbo:pubchem "17190"^^xsd:int ;
dbo:smiles "C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N" ;
dbp:inchikey "JSFUMBWFPQSADC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1458T4Ao910a" ;
skos:prefLabel "1,4,5,8-tetraamino-9,10-anthrachinon"@nl .
csc:AFIIBUOYKYSPKB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3032472 ;
dbo:casNumber "4658-28-0" ;
dbo:formula "C7H11N7S" ;
dbo:inchi "InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)" ;
dbo:iupacName "4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine"@en ;
dbo:pubchem "3032472"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]" ;
dbp:inchikey "AFIIBUOYKYSPKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004735 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azptn" ;
skos:prefLabel "aziprotryn"@nl .
csc:NMBXMBCZBXUXAM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39966 ;
dbo:casNumber "51249-05-9" , "60327-85-7" ;
dbo:formula "C18H38NO3P" ;
dbo:inchi "InChI=1S/C18H38NO3P/c1-4-7-15-19-18(13-11-10-12-14-18)23(20,21-16-8-5-2)22-17-9-6-3/h19H,4-17H2,1-3H3" ;
dbo:iupacName "N-butyl-1-dibutoxyphosphorylcyclohexan-1-amine"@en ;
dbo:pubchem "39966"^^xsd:int ;
dbo:smiles "CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC" ;
dbp:inchikey "NMBXMBCZBXUXAM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004482 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bumnfs" ;
skos:prefLabel "buminafos"@nl .
csc:GWXLDORMOJMVQZ-OUBTZVSYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104814 ;
dbo:casNumber "13967-74-3" ;
dbo:formula "Ce" ;
dbo:inchi "InChI=1S/Ce/i1+1" ;
dbo:iupacName "cerium-141"@en ;
dbo:pubchem "104814"^^xsd:int ;
dbo:smiles "[Ce]" ;
dbp:inchikey "GWXLDORMOJMVQZ-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ce141" ;
skos:prefLabel "cerium 141"@nl .
csc:QFOHBWFCKVYLES-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7184 ;
dbo:casNumber "94-26-8" , "8068-49-3" ;
dbo:formula "C11H14O3" ;
dbo:inchi "InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3" ;
dbo:iupacName "Butyl 4-hydroxybenzoate"@en ;
dbo:pubchem "7184"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C1=CC=C(C=C1)O" ;
dbp:inchikey "QFOHBWFCKVYLES-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yprbn" ;
skos:prefLabel "butylparabeen"@nl .
csc:MWBPRDONLNQCFV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5543 ;
dbo:casNumber "2303-17-5" ;
dbo:formula "C10H16Cl3NOS" ;
dbo:inchi "InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" ;
dbo:iupacName "S-(2,3,3-trichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate"@en ;
dbo:pubchem "5543"^^xsd:int ;
dbo:smiles "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" ;
dbp:inchikey "MWBPRDONLNQCFV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:exactMatch wise:CAS_2303-17-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Talt" ;
skos:prefLabel "triallaat"@nl ;
vcs:vmmParameterId "860"^^xsd:int .
csc:OSDWBNJEKMUWAV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7850 ;
dbo:casNumber "107-05-1" ;
dbo:formula "C3H5Cl" ;
dbo:inchi "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" ;
dbo:iupacName "3-chloroprop-1-ene"@en ;
dbo:pubchem "7850"^^xsd:int ;
dbo:smiles "C=CCCl" ;
dbp:inchikey "OSDWBNJEKMUWAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_107-05-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClC3e" ;
skos:prefLabel "3-chloorpropeen"@nl ;
vcs:vmmParameterId "358"^^xsd:int .
csc:PUQIRTNPJRFRCZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:62936 ;
dbo:casNumber "56392-14-4" ;
dbo:formula "C14H21NO4" ;
dbo:inchi "InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)" ;
dbo:iupacName "2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid"@en ;
dbo:pubchem "62936"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O" ;
dbp:inchikey "PUQIRTNPJRFRCZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metpllzr" ;
skos:prefLabel "metoprololzuur"@nl .
csc:LGUZHRODIJCVOC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9553 ;
dbo:casNumber "335-57-9" , "156930-32-4" ;
dbo:formula "C7F16" ;
dbo:inchi "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" ;
dbo:iupacName "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane"@en ;
dbo:pubchem "9553"^^xsd:int ;
dbo:smiles "C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "LGUZHRODIJCVOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hexdcFC7a" ;
skos:prefLabel "hexadecafluorheptaan"@nl .
csc:XCEYKKJMLOFDSS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:70272 ;
dbo:casNumber "932-96-7" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3" ;
dbo:iupacName "4-Chloro-N-methylaniline"@en ;
dbo:pubchem "70272"^^xsd:int ;
dbo:smiles "CNC1=CC=C(C=C1)Cl" ;
dbp:inchikey "XCEYKKJMLOFDSS-UHFFFAOYSA-N" ;
skos:altLabel "4-chloor-N-methylaniline"@nl ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClNC1yAn" ;
skos:prefLabel "4-chloor-n-methylaniline"@nl .
csc:FRCCEHPWNOQAEU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3589 ;
dbo:casNumber "76-44-8" , "37229-06-4" , "23720-59-4" ;
dbo:formula "C10H5Cl7" ;
dbo:inchi "InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H" ;
dbo:iupacName "1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene"@en ;
dbo:pubchem "3589"^^xsd:int ;
dbo:smiles "C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "FRCCEHPWNOQAEU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_76-44-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HpCl" ;
skos:prefLabel "heptachloor"@nl ;
vcs:vmmParameterId "241"^^xsd:int .
csc:SBLPWPLKGFWLKK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43239 ;
dbo:casNumber "60238-56-4" ;
dbo:formula "C11H15Cl2O3PS2" ;
dbo:inchi "InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-8-6-9(12)11(13)10(7-8)19-3/h6-7H,4-5H2,1-3H3" ;
dbo:iupacName "(3,4-dichloro-5-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "43239"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC(=C(C(=C1)Cl)Cl)SC" ;
dbp:inchikey "SBLPWPLKGFWLKK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cltofs" ;
skos:prefLabel "chloorthiofos"@nl .
csc:CAABRJFUDNBRJZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23827 ;
dbo:casNumber "7364-20-7" ;
dbo:formula "C10H12O2" ;
dbo:inchi "InChI=1S/C10H12O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7H,3H2,1-2H3" ;
dbo:iupacName "Methyl 4-ethylbenzoate"@en ;
dbo:pubchem "23827"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)C(=O)OC" ;
dbp:inchikey "CAABRJFUDNBRJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2ybzezC1yE" ;
skos:prefLabel "4-ethylbenzoezuur methylester"@nl .
csc:MZHCENGPTKEIGP-RXMQYKEDSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:119435 ;
dbo:casNumber "15165-67-0" ;
dbo:formula "C9H8Cl2O3" ;
dbo:inchi "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" ;
dbo:iupacName "(2R)-2-(2,4-dichlorophenoxy)propanoic acid"@en ;
dbo:pubchem "119435"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "MZHCENGPTKEIGP-RXMQYKEDSA-N" ;
skos:altLabel "dichloorprop-p"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClppP" ;
skos:prefLabel "dichloorprop-P"@nl .
csc:RAOIDOHSFRTOEL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1127 ;
dbo:casNumber "110-01-0" ;
dbo:formula "C4H8S" ;
dbo:inchi "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" ;
dbo:iupacName "Thiolane"@en ;
dbo:pubchem "1127"^^xsd:int ;
dbo:smiles "C1CCSC1" ;
dbp:inchikey "RAOIDOHSFRTOEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4Htofn" ;
skos:prefLabel "tetrahydrothiofeen"@nl .
csc:UNFUYWDGSFDHCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10952 ;
dbo:casNumber "542-18-7" ;
dbo:formula "C6H11Cl" ;
dbo:inchi "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" ;
dbo:iupacName "Chlorocyclohexane"@en ;
dbo:pubchem "10952"^^xsd:int ;
dbo:smiles "C1CCC(CC1)Cl" ;
dbp:inchikey "UNFUYWDGSFDHCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004485 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClccC6a" ;
skos:prefLabel "chloorcyclohexaan"@nl .
csc:JIGUQPWFLRLWPJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8821 ;
dbo:casNumber "153313-65-6" , "9003-32-1" , "140-88-5" , "169238-64-6" , "37199-30-7" , "116404-62-7" , "87605-70-7" ;
dbo:formula "C5H8O2" ;
dbo:inchi "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" ;
dbo:iupacName "ethyl prop-2-enoate"@en ;
dbo:pubchem "8821"^^xsd:int ;
dbo:smiles "CCOC(=O)C=C" ;
dbp:inchikey "JIGUQPWFLRLWPJ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_004 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yaclt" ;
skos:prefLabel "ethylacrylaat"@nl .
csc:TWXDDNPPQUTEOV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9306 ;
dbo:casNumber "4298-16-2" , "300-42-5" ;
dbo:formula "C10H16ClN" ;
dbo:inchi "InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H" ;
dbo:iupacName "N-methyl-1-phenylpropan-2-amine hydrochloride"@en ;
dbo:pubchem "9306"^^xsd:int ;
dbo:smiles "CC(CC1=CC=CC=C1)NC.Cl" ;
dbp:inchikey "TWXDDNPPQUTEOV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "methafAeHCl" ;
skos:prefLabel "methamfetamine hydrochloride"@nl .
csc:IUZFQERQUZLNKQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:34322 ;
dbo:casNumber "28772-56-7" ;
dbo:formula "C30H23BrO4" ;
dbo:inchi "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32,34H,18H2" ;
dbo:iupacName "3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-2-hydroxychromen-4-one"@en ;
dbo:pubchem "34322"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(OC5=CC=CC=C5C4=O)O" ;
dbp:inchikey "IUZFQERQUZLNKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002651 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bromdoln" ;
skos:prefLabel "bromadiolon"@nl .
csc:QQQYTWIFVNKMRW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37123 ;
dbo:casNumber "53026-03-2" , "104790-81-0" , "51026-04-1" , "66594-18-1" , "35367-38-5" ;
dbo:formula "C14H9ClF2N2O2" ;
dbo:inchi "InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" ;
dbo:iupacName "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "37123"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F" ;
dbp:inchikey "QQQYTWIFVNKMRW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfbzrn" ;
skos:prefLabel "diflubenzuron"@nl .
csc:IZEKFCXSFNUWAM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3108 ;
dbo:casNumber "58-32-2" ;
dbo:formula "C24H40N8O4" ;
dbo:inchi "InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2" ;
dbo:iupacName "2-[[2-(bis(2-hydroxyethyl)amino)-4,8-di(piperidin-1-yl)pyrimido[6,5-e]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol"@en ;
dbo:pubchem "3108"^^xsd:int ;
dbo:smiles "C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO" ;
dbp:inchikey "IZEKFCXSFNUWAM-UHFFFAOYSA-N" ;
skos:altLabel "dipyramidol"@nl ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dpyrdml" ;
skos:prefLabel "dipyridamol"@nl .
csc:UGJMXCAKCUNAIE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3446 ;
dbo:casNumber "60142-96-3" ;
dbo:formula "C9H17NO2" ;
dbo:inchi "InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)" ;
dbo:iupacName "2-[1-(aminomethyl)cyclohexyl]acetic acid"@en ;
dbo:pubchem "3446"^^xsd:int ;
dbo:smiles "C1CCC(CC1)(CC(=O)O)CN" ;
dbp:inchikey "UGJMXCAKCUNAIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001880 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gabptne" ;
skos:prefLabel "gabapentine"@nl .
csc:CPELXLSAUQHCOX-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:259 ;
dbo:casNumber "24959-67-9" , "7726-95-6" ;
dbo:formula "Br-" ;
dbo:inchi "InChI=1S/BrH/h1H/p-1" ;
dbo:iupacName "bromide"@en ;
dbo:pubchem "259"^^xsd:int ;
dbo:smiles "[Br-]" ;
dbp:inchikey "CPELXLSAUQHCOX-UHFFFAOYSA-M" ;
skos:altLabel "bromide"@nl ;
skos:broader csc:CHEMONTID_0000548 ;
skos:exactMatch wise:CAS_24959-67-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Br" , "Br2" ;
skos:prefLabel "dibroom"@nl ;
vcs:vmmParameterId "1802"^^xsd:int , "542"^^xsd:int .
csc:VLKZOEOYAKHREP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:8058 ;
dbo:casNumber "68476-44-8" , "92112-69-1" , "110-54-3" , "8031-34-3" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" ;
dbo:iupacName "Hexane"@en ;
dbo:pubchem "8058"^^xsd:int ;
dbo:smiles "CCCCCC" ;
dbp:inchikey "VLKZOEOYAKHREP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_011 , co:LUC_IV_006 ;
skos:altLabel "n-hexaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6a" ;
skos:prefLabel "hexaan"@nl .
csc:FHIVAFMUCKRCQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3017 ;
dbo:casNumber "30583-38-1" , "333-41-5" , "65863-03-8" , "27936-40-9" ;
dbo:formula "C12H21N2O3PS" ;
dbo:inchi "InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" ;
dbo:iupacName "diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "3017"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C" ;
dbp:inchikey "FHIVAFMUCKRCQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004771 ;
skos:exactMatch wise:CAS_333-41-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Daznn" ;
skos:prefLabel "diazinon"@nl ;
vcs:vmmParameterId "676"^^xsd:int .
csc:DUEPRVBVGDRKAG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2566 ;
dbo:casNumber "1563-66-2" ;
dbo:formula "C12H15NO3" ;
dbo:inchi "InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" ;
dbo:iupacName "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate"@en ;
dbo:pubchem "2566"^^xsd:int ;
dbo:smiles "CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C" ;
dbp:inchikey "DUEPRVBVGDRKAG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbfrn" ;
skos:prefLabel "carbofuran"@nl .
csc:UBUCNCOMADRQHX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6838 ;
dbo:casNumber "86-30-6" ;
dbo:formula "C12H10N2O" ;
dbo:inchi "InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "N,N-di(phenyl)nitrous amide"@en ;
dbo:pubchem "6838"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O" ;
dbp:inchikey "UBUCNCOMADRQHX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000113 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DFyNOAe" ;
skos:prefLabel "difenylnitrosamine"@nl .
csc:OJOWICOBYCXEKR-KRXBUXKQSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5365543 ;
dbo:casNumber "16219-75-3" , "59006-74-5" , "62181-74-2" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+" ;
dbo:iupacName "['(5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene', '5-ethylidenebicyclo[2.2.1]hept-2-ene']"@en ;
dbo:pubchem "5365543"^^xsd:int ;
dbo:smiles "CC=C1CC2CC1C=C2" ;
dbp:inchikey "OJOWICOBYCXEKR-KRXBUXKQSA-N" ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C2yid2nbnn" ;
skos:prefLabel "5-ethylideen-2-norborneen"@nl .
csc:HUKPVYBUJRAUAG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6697 ;
dbo:casNumber "82-05-3" , "57608-35-2" , "116495-96-6" ;
dbo:formula "C17H10O" ;
dbo:inchi "InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H" ;
dbo:iupacName "benzo[a]phenalen-7-one"@en ;
dbo:pubchem "6697"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O" ;
dbp:inchikey "HUKPVYBUJRAUAG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Benztn" ;
skos:prefLabel "benzanthron"@nl .
csc:QYPNKSZPJQQLRK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91773 ;
dbo:casNumber "142583-69-5" , "112410-23-8" ;
dbo:formula "C22H28N2O2" ;
dbo:inchi "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" ;
dbo:iupacName "N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide"@en ;
dbo:pubchem "91773"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C" ;
dbp:inchikey "QYPNKSZPJQQLRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000176 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebfnzde" ;
skos:prefLabel "tebufenozide"@nl .
csc:VUTHWSUXEOILTN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26449 ;
dbo:casNumber "14086-35-2" ;
dbo:formula "C10H15O6PS" ;
dbo:inchi "InChI=1S/C10H15O6PS/c1-8-7-9(16-17(11,14-2)15-3)5-6-10(8)18(4,12)13/h5-7H,1-4H3" ;
dbo:iupacName "dimethyl (3-methyl-4-methylsulfonylphenyl) phosphate"@en ;
dbo:pubchem "26449"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)(=O)C" ;
dbp:inchikey "VUTHWSUXEOILTN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentoOosfn" ;
skos:prefLabel "fenthion-oxon-sulfon"@nl .
csc:BACHBFVBHLGWSL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:39985 ;
dbo:casNumber "75045-48-6" , "51142-56-4" , "51338-27-3" ;
dbo:formula "C16H14Cl2O4" ;
dbo:inchi "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" ;
dbo:iupacName "methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate"@en ;
dbo:pubchem "39985"^^xsd:int ;
dbo:smiles "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "BACHBFVBHLGWSL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DcfC1y" ;
skos:prefLabel "diclofop-methyl"@nl .
csc:GVJHHUAWPYXKBD-IEOSBIPESA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14985 ;
dbo:casNumber "10191-41-0" , "4072-33-7" , "59-02-9" , "1406-18-4" , "16826-11-2" , "25094-97-7" , "181591-70-8" , "11105-14-9" ;
dbo:formula "C29H50O2" ;
dbo:inchi "InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1" ;
dbo:iupacName "(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL"@en ;
dbo:pubchem "14985"^^xsd:int ;
dbo:smiles "CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C" ;
dbp:inchikey "GVJHHUAWPYXKBD-IEOSBIPESA-N" ;
skos:altLabel "alfa-tocoferol (Vitamine E)"@nl ;
skos:broader csc:CHEMONTID_0000201 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "atcfrl" ;
skos:prefLabel "alfa-tocoferol (vitamine e)"@nl .
csc:AOJJSUZBOXZQNB-TZSSRYMLSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31703 ;
dbo:casNumber "23214-92-8" , "23257-17-2" , "29042-30-6" , "25311-50-6" , "24385-08-8" ;
dbo:formula "C27H29NO11" ;
dbo:inchi "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1" ;
dbo:iupacName "(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione"@en ;
dbo:pubchem "31703"^^xsd:int ;
dbo:smiles "CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O" ;
dbp:inchikey "AOJJSUZBOXZQNB-TZSSRYMLSA-N" ;
skos:broader csc:CHEMONTID_0002106 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "doxrbcne" ;
skos:prefLabel "doxorubicine"@nl .
csc:KZWPFFFDRDASOU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15997 ;
dbo:casNumber "1320-18-9" , "1928-45-6" ;
dbo:formula "C15H20Cl2O4" ;
dbo:inchi "InChI=1S/C15H20Cl2O4/c1-2-3-7-19-8-4-9-20-15(18)11-21-14-6-5-12(16)10-13(14)17/h5-6,10H,2-4,7-9,11H2,1H3" ;
dbo:iupacName "3-butoxypropyl 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "15997"^^xsd:int ;
dbo:smiles "CCCCOCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "KZWPFFFDRDASOU-UHFFFAOYSA-N" ;
skos:altLabel "2,4-d propyleen glycol butyl ether ester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC3yegC4yE" ;
skos:prefLabel "2,4-D propyleen glycol butyl ether ester"@nl .
csc:UGFAIRIUMAVXCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'CO'"@nl , "VLAR II (D2) 'koolmonoxide'"@nl , "VLAR bijl. 2.5.3. diverse plaatsen 'koolmonoxide'"@nl , "VLAR II bijl. 4.4.2 'koolstofmonoxide'"@nl ;
rdfs:seeAlso compound:281 ;
dbo:casNumber "18421-60-8" , "192819-80-0" , "162342-48-5" , "167416-30-0" , "630-08-0" , "153929-54-5" , "82063-46-5" , "155399-52-3" ;
dbo:formula "CO" ;
dbo:inchi "InChI=1S/CO/c1-2" ;
dbo:iupacName "carbon monoxide"@en ;
dbo:pubchem "281"^^xsd:int ;
dbo:smiles "[C-]#[O+]" ;
dbp:inchikey "UGFAIRIUMAVXCW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "koolstofmonoxide (CO)"@nl , "koolmonoxide"@nl ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CMO" ;
skos:prefLabel "koolstofmonoxide (co)"@nl .
csc:BTZVKSVLFLRBRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:51132 ;
dbo:casNumber "70657-70-4" ;
dbo:formula "C6H12O3" ;
dbo:inchi "InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3" ;
dbo:iupacName "2-Methoxypropyl acetate"@en ;
dbo:pubchem "51132"^^xsd:int ;
dbo:smiles "CC(COC(=O)C)OC" ;
dbp:inchikey "BTZVKSVLFLRBRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1oxC3yactt" ;
skos:prefLabel "2-methoxypropylacetaat"@nl .
csc:NBQCNZYJJMBDKY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22188 ;
dbo:casNumber "5902-51-2" ;
dbo:formula "C9H13ClN2O2" ;
dbo:inchi "InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)" ;
dbo:iupacName "3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione"@en ;
dbo:pubchem "22188"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl" ;
dbp:inchikey "NBQCNZYJJMBDKY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001893 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbcl" ;
skos:prefLabel "terbacil"@nl .
csc:AEMFNILZOJDQLW-QAGGRKNESA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6128 ;
dbo:casNumber "117598-81-9" , "104534-78-3" , "63-05-8" ;
dbo:formula "C19H26O2" ;
dbo:inchi "InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione"@en ;
dbo:pubchem "6128"^^xsd:int ;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C" ;
dbp:inchikey "AEMFNILZOJDQLW-QAGGRKNESA-N" ;
skos:broader csc:CHEMONTID_0001467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "andtdn" ;
skos:prefLabel "androsteendion"@nl .
csc:XXPRRHYTDCWGRP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:72384 ;
dbo:casNumber "41506-14-3" , "27177-05-5" ;
dbo:formula "C31H56O9" ;
dbo:inchi "InChI=1S/C31H56O9/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)40-29-28-39-27-26-38-25-24-37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32/h10-13,32H,2-9,14-29H2,1H3" ;
dbo:iupacName "2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol"@en ;
dbo:pubchem "72384"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCO" ;
dbp:inchikey "XXPRRHYTDCWGRP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO8" ;
skos:prefLabel "nonylfenoloctaethoxylaat"@nl .
csc:PZXOQEXFMJCDPG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14210 ;
dbo:casNumber "1113-02-6" ;
dbo:formula "C5H12NO4PS" ;
dbo:inchi "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" ;
dbo:iupacName "2-dimethoxyphosphorylsulfanyl-N-methylacetamide"@en ;
dbo:pubchem "14210"^^xsd:int ;
dbo:smiles "CNC(=O)CSP(=O)(OC)OC" ;
dbp:inchikey "PZXOQEXFMJCDPG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001663 ;
skos:exactMatch wise:CAS_1113-02-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "omtat" ;
skos:prefLabel "omethoaat"@nl ;
vcs:vmmParameterId "403"^^xsd:int .
csc:AHOUBRCZNHFOSL-YOEHRIQHSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:43815 ;
dbo:casNumber "110429-35-1" , "61869-08-7" , "63952-24-9" ;
dbo:formula "C19H20FNO3" ;
dbo:inchi "InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1" ;
dbo:iupacName "(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine"@en ;
dbo:pubchem "43815"^^xsd:int ;
dbo:smiles "C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4" ;
dbp:inchikey "AHOUBRCZNHFOSL-YOEHRIQHSA-N" ;
skos:broader csc:CHEMONTID_0000303 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "paroetne" ;
skos:prefLabel "paroxetine"@nl .
csc:ROSDSFDQCJNGOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:674 ;
dbo:casNumber "124-40-3" ;
dbo:formula "C2H7N" ;
dbo:inchi "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" ;
dbo:iupacName "N-Methylmethanamine"@en ;
dbo:pubchem "674"^^xsd:int ;
dbo:smiles "CNC" ;
dbp:inchikey "ROSDSFDQCJNGOL-UHFFFAOYSA-N" ;
skos:altLabel "dimethylamine "@nl ;
skos:broader csc:CHEMONTID_0002228 ;
skos:exactMatch wise:CAS_124-40-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yAe" ;
skos:prefLabel "dimethylamine"@nl ;
vcs:vmmParameterId "497"^^xsd:int .
csc:DECPGQLXYYCNEZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:90714 ;
dbo:casNumber "5406-92-8" , "51845-93-3" , "25103-12-2" ;
dbo:formula "C24H51O3P" ;
dbo:inchi "InChI=1S/C24H51O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3" ;
dbo:iupacName "tris(6-methylheptyl) phosphite"@en ;
dbo:pubchem "90714"^^xsd:int ;
dbo:smiles "CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C" ;
dbp:inchikey "DECPGQLXYYCNEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004484 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC8yPO4" ;
skos:prefLabel "trioctylfosfaat"@nl .
csc:QILSFLSDHQAZET-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7037 ;
dbo:casNumber "91-01-0" ;
dbo:formula "C13H12O" ;
dbo:inchi "InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H" ;
dbo:iupacName "di(phenyl)methanol"@en ;
dbo:pubchem "7037"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=CC=C2)O" ;
dbp:inchikey "QILSFLSDHQAZET-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aFyBenC1ol" ;
skos:prefLabel "alfa-fenylbenzeenmethanol"@nl .
csc:PPDBOQMNKNNODG-ZROIWOOFSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436449 ;
dbo:casNumber "131983-72-7" ;
dbo:formula "C17H20ClN3O" ;
dbo:inchi "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-" ;
dbo:iupacName "(5Z)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol"@en ;
dbo:pubchem "6436449"^^xsd:int ;
dbo:smiles "CC1(CCC(=CC2=CC=C(C=C2)Cl)C1(CN3C=NC=N3)O)C" ;
dbp:inchikey "PPDBOQMNKNNODG-ZROIWOOFSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ttcnzl" ;
skos:prefLabel "triticonazool"@nl .
csc:AMEKQAFGQBKLKX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21330 ;
dbo:casNumber "5259-88-1" ;
dbo:formula "C12H13NO4S" ;
dbo:inchi "InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" ;
dbo:iupacName "2-methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide"@en ;
dbo:pubchem "21330"^^xsd:int ;
dbo:smiles "CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2" ;
dbp:inchikey "AMEKQAFGQBKLKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OxcbOxn" ;
skos:prefLabel "oxycarboxin"@nl .
csc:XUAWBXBYHDRROL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:38306 ;
dbo:casNumber "39635-31-9" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "38306"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "XUAWBXBYHDRROL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB 189"@nl , "pcb 189"@nl , "2,3,3',4,4',5,5'-heptachloorbifenyl (pcb189)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_39635-31-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB189" ;
skos:prefLabel "2,3,3',4,4',5,5 '-heptachlorobifenyl"@nl ;
vcs:vmmParameterId "1377"^^xsd:int .
csc:WGQKYBSKWIADBV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7504 ;
dbo:casNumber "100-46-9" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2" ;
dbo:iupacName "phenylmethanamine"@en ;
dbo:pubchem "7504"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CN" ;
dbp:inchikey "WGQKYBSKWIADBV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzAe" ;
skos:prefLabel "benzylamine"@nl .
csc:WDZLGCSJJWEQJO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11603678 ;
dbo:casNumber "41997-13-1" ;
dbo:formula "C6H2F13NO2S" ;
dbo:inchi "InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide"@en ;
dbo:pubchem "11603678"^^xsd:int ;
dbo:smiles "C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F" ;
dbp:inchikey "WDZLGCSJJWEQJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003966 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFHxSA" ;
skos:prefLabel "perfluorhexaansulfonamide"@nl .
csc:VWQVUPCCIRVNHF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23993 ;
dbo:casNumber "27151-36-6" , "7440-65-5" , "110123-45-0" ;
dbo:formula "Y" ;
dbo:inchi "InChI=1S/Y" ;
dbo:iupacName "YTTRIUM"@en ;
dbo:pubchem "23993"^^xsd:int ;
dbo:smiles "[Y]" ;
dbp:inchikey "VWQVUPCCIRVNHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Y" ;
skos:prefLabel "yttrium"@nl .
csc:PCKNFPQPGUWFHO-UQRQXUALSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6537963 ;
dbo:casNumber "113036-88-7" ;
dbo:formula "C25H20ClF2N3O3" ;
dbo:inchi "InChI=1S/C25H20ClF2N3O3/c26-18-10-8-17(9-11-18)23(16-6-7-16)31-34-14-15-4-12-19(13-5-15)29-25(33)30-24(32)22-20(27)2-1-3-21(22)28/h1-5,8-13,16H,6-7,14H2,(H2,29,30,32,33)/b31-23+" ;
dbo:iupacName "N-[[4-[[[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "6537963"^^xsd:int ;
dbo:smiles "C1CC1C(=NOCC2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F)C4=CC=C(C=C4)Cl" ;
dbp:inchikey "PCKNFPQPGUWFHO-UQRQXUALSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluccxrn" ;
skos:prefLabel "flucycloxuron"@nl .
csc:XBDQKXXYIPTUBI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:1032 ;
dbo:casNumber "784139-72-6" , "3349-08-4" , "68990-37-4" , "68937-68-8" , "79-09-4" ;
dbo:formula "C3H6O2" ;
dbo:inchi "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" ;
dbo:iupacName "Propanoic acid"@en ;
dbo:pubchem "1032"^^xsd:int ;
dbo:smiles "CCC(=O)O" ;
dbp:inchikey "XBDQKXXYIPTUBI-UHFFFAOYSA-N" ;
skos:altLabel "propionzuur "@nl ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propozr" ;
skos:prefLabel "propionzuur"@nl .
csc:DMQQXDPCRUGSQB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:80296 ;
dbo:casNumber "161122-34-5" , "1939-36-2" ;
dbo:formula "C11H18N2O8" ;
dbo:inchi "InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)" ;
dbo:iupacName "2-[3-(bis(carboxymethyl)amino)propyl-(carboxymethyl)amino]acetic acid"@en ;
dbo:pubchem "80296"^^xsd:int ;
dbo:smiles "C(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O" ;
dbp:inchikey "DMQQXDPCRUGSQB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002966 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13C3yeDAeT4H" ;
skos:prefLabel "1,3-propyleendiaminetatraazijnzuur"@nl .
csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II (D2) 'cadmium'"@nl , "VLAR Bijl. 2.5.2 en bijl. 2.5.8.1. 'cadmium'"@nl , "VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'"@nl , "VLAR II bijl. 4.4.2 'cadmium en zijn verbindingen, uitgedrukt in Cd'"@nl , "VLAR III (D3, diverse art) 'Cd'"@nl , "VLAR III (D3) 'cadmium en de verbindingen daarvan, uitgedrukt als cadmium (Cd)"@nl , "VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'"@nl ;
rdfs:seeAlso compound:31193 ;
dbo:casNumber "7440-43-9" , "22537-48-0" ;
dbo:formula "Cd+2" ;
dbo:inchi "InChI=1S/Cd/q+2" ;
dbo:iupacName "cadmium(+2) cation"@en ;
dbo:pubchem "31193"^^xsd:int ;
dbo:smiles "[Cd+2]" ;
dbp:inchikey "WLZRMCYVCSSEQC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "cadmium (m)"@nl , "cadmium, opgelost"@nl , "cadmium"@nl , "Cadmium (Cd)"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)"@nl ;
skos:exactMatch wise:CAS_7440-43-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cd" ;
skos:prefLabel "cadmium (cd)"@nl ;
vcs:vmmParameterId "148"^^xsd:int , "149"^^xsd:int , "147"^^xsd:int , "1926"^^xsd:int .
csc:STNSYZSNIYTNMI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:162806 ;
dbo:casNumber "1429-50-1" , "57011-27-5" ;
dbo:formula "C6H23N3O12P4" ;
dbo:inchi "InChI=1S/C6H20N2O12P4.H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);1H3" ;
dbo:iupacName "azane; [2-(bis(phosphonomethyl)amino)ethyl-(phosphonomethyl)amino]methylphosphonic acid"@en ;
dbo:pubchem "162806"^^xsd:int ;
dbo:smiles "C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O.N" ;
dbp:inchikey "STNSYZSNIYTNMI-UHFFFAOYSA-N" ;
skos:altLabel "ethyleendiamine tetra(methyleen fosfonzuur) (EDTMP)"@nl ;
skos:broader csc:CHEMONTID_0001302 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EDTMP" ;
skos:prefLabel "ethyleendiamine tetra(methyleen fosfonzuur) (edtmp)"@nl .
csc:FKNQFGJONOIPTF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:923 ;
dbo:casNumber "7440-23-5" , "17341-25-2" ;
dbo:formula "Na+" ;
dbo:inchi "InChI=1S/Na/q+1" ;
dbo:iupacName "sodium(+1) cation"@en ;
dbo:pubchem "923"^^xsd:int ;
dbo:smiles "[Na+]" ;
dbp:inchikey "FKNQFGJONOIPTF-UHFFFAOYSA-N" ;
skos:altLabel "natrium, \uFFFD\uFFFDnwaardig"@nl ;
skos:broader csc:CHEMONTID_0000425 ;
skos:exactMatch wise:CAS_7440-23-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na" ;
skos:prefLabel "natrium"@nl ;
vcs:vmmParameterId "987"^^xsd:int , "1950"^^xsd:int , "1260"^^xsd:int , "743"^^xsd:int .
csc:OKISUZLXOYGIFP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7034 ;
dbo:casNumber "90-98-2" ;
dbo:formula "C13H8Cl2O" ;
dbo:inchi "InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H" ;
dbo:iupacName "bis(4-chlorophenyl)methanone"@en ;
dbo:pubchem "7034"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "OKISUZLXOYGIFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DClbzfnn" ;
skos:prefLabel "4,4'-dichloorbenzofenon"@nl .
csc:WEBQKRLKWNIYKK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13526 ;
dbo:casNumber "919-86-8" ;
dbo:formula "C6H15O3PS2" ;
dbo:inchi "InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3" ;
dbo:iupacName "1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane"@en ;
dbo:pubchem "13526"^^xsd:int ;
dbo:smiles "CCSCCSP(=O)(OC)OC" ;
dbp:inchikey "WEBQKRLKWNIYKK-UHFFFAOYSA-N" ;
skos:altLabel "demeton-s-methyl"@nl ;
skos:broader csc:CHEMONTID_0001438 ;
skos:exactMatch wise:CAS_919-86-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demtSC1y" ;
skos:prefLabel "demeton-S-methyl"@nl ;
vcs:vmmParameterId "804"^^xsd:int .
csc:ZEOVXNVKXIPWMS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11660 ;
dbo:casNumber "594-20-7" ;
dbo:formula "C3H6Cl2" ;
dbo:inchi "InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3" ;
dbo:iupacName "2,2-DICHLOROPROPANE"@en ;
dbo:pubchem "11660"^^xsd:int ;
dbo:smiles "CC(C)(Cl)Cl" ;
dbp:inchikey "ZEOVXNVKXIPWMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_594-20-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DClC3a" ;
skos:prefLabel "2,2-dichloorpropaan"@nl ;
vcs:vmmParameterId "534"^^xsd:int .
csc:RIZMRRKBZQXFOY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3286 ;
dbo:casNumber "563-12-2" ;
dbo:formula "C9H22O4P2S4" ;
dbo:inchi "InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3" ;
dbo:iupacName "diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "3286"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSP(=S)(OCC)OCC" ;
dbp:inchikey "RIZMRRKBZQXFOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:exactMatch wise:CAS_563-12-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "eton" ;
skos:prefLabel "ethion"@nl ;
vcs:vmmParameterId "734"^^xsd:int .
csc:OGRAOKJKVGDSFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12769 ;
dbo:casNumber "697-82-5" , "70969-66-3" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3" ;
dbo:iupacName "2,3,5-Trimethylphenol"@en ;
dbo:pubchem "12769"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)O)C)C" ;
dbp:inchikey "OGRAOKJKVGDSFR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "235TC1yFol" ;
skos:prefLabel "2,3,5-trimethylfenol"@nl .
csc:JHIVVAPYMSGYDF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7967 ;
dbo:casNumber "9075-99-4" , "108-94-1" , "9003-41-2" , "11119-77-0" ;
dbo:formula "C6H10O" ;
dbo:inchi "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" ;
dbo:iupacName "Cyclohexanone"@en ;
dbo:pubchem "7967"^^xsd:int ;
dbo:smiles "C1CCC(=O)CC1" ;
dbp:inchikey "JHIVVAPYMSGYDF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_007 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC6on" ;
skos:prefLabel "cyclohexanon"@nl .
csc:DFCAFRGABIXSDS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14337 ;
dbo:casNumber "1134-23-2" , "71330-39-7" ;
dbo:formula "C11H21NOS" ;
dbo:inchi "InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3" ;
dbo:iupacName "S-ethyl (cyclohexyl-ethylamino)methanethioate"@en ;
dbo:pubchem "14337"^^xsd:int ;
dbo:smiles "CCN(C1CCCCC1)C(=O)SCC" ;
dbp:inchikey "DFCAFRGABIXSDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycat" ;
skos:prefLabel "cycloaat"@nl .
csc:HLZKNKRTKFSKGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8209 ;
dbo:casNumber "68002-95-9" , "67762-42-9" , "179607-28-4" , "52439-75-5" , "126339-60-4" , "67762-30-5" , "112-72-1" , "126339-59-1" , "71750-71-5" , "8032-14-2" , "68333-80-2" , "67762-41-8" , "75782-87-5" , "63393-82-8" , "68855-56-1" , "150138-88-8" , "60650-34-2" ;
dbo:formula "C14H30O" ;
dbo:inchi "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3" ;
dbo:iupacName "tetradecan-1-ol"@en ;
dbo:pubchem "8209"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCO" ;
dbp:inchikey "HLZKNKRTKFSKGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002951 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C14ol" ;
skos:prefLabel "1-tetradecanol"@nl .
csc:LSHROXHEILXKHM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19990 ;
dbo:casNumber "778592-37-3" , "4067-16-7" ;
dbo:formula "C10H28N6" ;
dbo:inchi "InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2" ;
dbo:iupacName "N,N'-bis[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine"@en ;
dbo:pubchem "19990"^^xsd:int ;
dbo:smiles "C(CNCCNCCNCCNCCN)N" ;
dbp:inchikey "LSHROXHEILXKHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeC2yHxAe" ;
skos:prefLabel "pentaethyleenhexamine"@nl .
csc:QWDQYHPOSSHSAW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66988 ;
dbo:casNumber "112-96-9" , "156520-08-0" ;
dbo:formula "C19H37NO" ;
dbo:inchi "InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3" ;
dbo:iupacName "1-Isocyanatooctadecane"@en ;
dbo:pubchem "66988"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCN=C=O" ;
dbp:inchikey "QWDQYHPOSSHSAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000501 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1iCNC18a" ;
skos:prefLabel "1-isocyanaat-octadecaan"@nl .
csc:CZMRCDWAGMRECN-UGDNZRGBSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5988 ;
dbo:casNumber "86101-30-6" , "100405-08-1" , "25702-74-3" , "146054-35-5" , "80165-03-3" , "78654-77-0" , "104242-10-6" , "29764-06-5" , "64533-66-0" , "30027-72-6" , "50857-68-6" , "8030-20-4" , "85456-51-5" , "8027-47-2" , "87430-66-8" , "9012-95-7" , "92004-84-7" , "146187-04-4" , "51909-69-4" , "131932-12-2" , "47167-52-2" , "29253-78-9" , "220376-22-7" , "47257-91-0" , "65545-99-5" , "75398-84-4" , "57-50-1" , "76056-38-7" , "47185-09-1" , "151756-02-4" ;
dbo:formula "C12H22O11" ;
dbo:inchi "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" ;
dbo:iupacName "(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"@en ;
dbo:pubchem "5988"^^xsd:int ;
dbo:smiles "C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O" ;
dbp:inchikey "CZMRCDWAGMRECN-UGDNZRGBSA-N" ;
skos:broader csc:CHEMONTID_0002207 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "saccrse" ;
skos:prefLabel "saccharose"@nl .
csc:PCCSBWNGDMYFCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:213032 ;
dbo:casNumber "131807-57-3" ;
dbo:formula "C22H18N2O4" ;
dbo:inchi "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" ;
dbo:iupacName "5-methyl-5-[4-(phenoxy)phenyl]-3-(phenylamino)-1,3-oxazolidine-2,4-dione"@en ;
dbo:pubchem "213032"^^xsd:int ;
dbo:smiles "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" ;
dbp:inchikey "PCCSBWNGDMYFCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "famxdne" ;
skos:prefLabel "famoxadone"@nl .
csc:OTPSWLRZXRHDNX-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26041 ;
dbo:casNumber "51148-10-8" , "35430-20-7" , "109702-19-4" , "55172-61-7" , "16782-00-6" , "51406-57-6" , "31089-48-2" , "13463-41-7" , "3138-01-0" , "14376-32-0" , "17652-47-0" , "1320-68-9" , "39412-61-8" , "1192-70-7" , "3590-23-6" , "226883-65-4" , "74261-71-5" , "208398-70-3" , "118480-78-7" , "15686-64-3" , "244778-79-8" , "192458-89-2" , "162400-43-3" ;
dbo:formula "C10H8N2O2S2Zn" ;
dbo:inchi "InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2" ;
dbo:iupacName "zinc 1-oxidopyridin-1-ium-2-thiolate"@en ;
dbo:pubchem "26041"^^xsd:int ;
dbo:smiles "C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]" ;
dbp:inchikey "OTPSWLRZXRHDNX-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001764 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Znprton" ;
skos:prefLabel "zinkpyrithion"@nl .
csc:VGGSQFUCUMXWEO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6325 ;
dbo:casNumber "87701-64-2" , "68037-39-8" , "74-85-1" , "9002-88-4" , "33060-30-9" , "87701-65-3" ;
dbo:formula "C2H4" ;
dbo:inchi "InChI=1S/C2H4/c1-2/h1-2H2" ;
dbo:iupacName "Ethene"@en ;
dbo:pubchem "6325"^^xsd:int ;
dbo:smiles "C=C" ;
dbp:inchikey "VGGSQFUCUMXWEO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2e" ;
skos:prefLabel "etheen"@nl .
csc:QARVLSVVCXYDNA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7961 ;
dbo:casNumber "108-86-1" ;
dbo:formula "C6H5Br" ;
dbo:inchi "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "Bromobenzene"@en ;
dbo:pubchem "7961"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)Br" ;
dbp:inchikey "QARVLSVVCXYDNA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001098 ;
skos:exactMatch wise:CAS_108-86-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrBen" ;
skos:prefLabel "broombenzeen"@nl ;
vcs:vmmParameterId "546"^^xsd:int .
csc:GOHBXWHNJHENRX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19427 ;
dbo:casNumber "3697-24-3" ;
dbo:formula "C19H14" ;
dbo:inchi "InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3" ;
dbo:iupacName "5-METHYLCHRYSENE"@en ;
dbo:pubchem "19427"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3" ;
dbp:inchikey "GOHBXWHNJHENRX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001142 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1yChr" ;
skos:prefLabel "5-methylchryseen"@nl .
csc:NZUPFZNVGSWLQC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:103634 ;
dbo:casNumber "52434-90-9" ;
dbo:formula "C12H15Br6N3O3" ;
dbo:inchi "InChI=1S/C12H15Br6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h7-9H,1-6H2" ;
dbo:iupacName "1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione"@en ;
dbo:pubchem "103634"^^xsd:int ;
dbo:smiles "C(C(CBr)Br)N1C(=O)N(C(=O)N(C1=O)CC(CBr)Br)CC(CBr)Br" ;
dbp:inchikey "NZUPFZNVGSWLQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001920 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "tris(dibroompropyl)isocyanuraat"@nl .
csc:CJIASZBWXIFQMU-ZVXOBQGSSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6442262 ;
dbo:casNumber "157622-02-1" ;
dbo:formula "C54H72N8O12" ;
dbo:inchi "InChI=1S/C54H72N8O12/c1-29(2)24-42-52(69)61-46(54(72)73)33(6)48(65)59-43(27-37-28-55-40-19-15-14-18-38(37)40)51(68)57-39(21-20-30(3)25-31(4)44(74-10)26-36-16-12-11-13-17-36)32(5)47(64)58-41(53(70)71)22-23-45(63)62(9)35(8)50(67)56-34(7)49(66)60-42/h11-21,25,28-29,31-34,39,41-44,46,55H,8,22-24,26-27H2,1-7,9-10H3,(H,56,67)(H,57,68)(H,58,64)(H,59,65)(H,60,66)(H,61,69)(H,70,71)(H,72,73)/b21-20-,30-25+" ;
dbo:iupacName "15-(1H-indol-3-ylmethyl)-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6442262"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CNC3=CC=CC=C32)C=CC(=CC(C)C(CC4=CC=CC=C4)OC)C" ;
dbp:inchikey "CJIASZBWXIFQMU-ZVXOBQGSSA-N" ;
skos:altLabel "microcystine-lw"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC-LW" ;
skos:prefLabel "microcystine-LW"@nl .
csc:SRJQTHAZUNRMPR-UYQKXTDMSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:443059 ;
dbo:casNumber "131929-60-7" ;
dbo:formula "C41H65NO10" ;
dbo:inchi "InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1" ;
dbo:iupacName "(1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione"@en ;
dbo:pubchem "443059"^^xsd:int ;
dbo:smiles "CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C" ;
dbp:inchikey "SRJQTHAZUNRMPR-UYQKXTDMSA-N" ;
skos:altLabel "spinosyna"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spinsnA" ;
skos:prefLabel "spinosynA"@nl .
csc:PODWXQQNRWNDGD-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61475 ;
dbo:casNumber "10102-17-7" , "7772-98-7" ;
dbo:formula "H10Na2O8S2" ;
dbo:inchi "InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2" ;
dbo:iupacName "disodium;dioxido-oxo-sulfanylidene-lambda6-sulfane;pentahydrate"@en ;
dbo:pubchem "61475"^^xsd:int ;
dbo:smiles "O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+]" ;
dbp:inchikey "PODWXQQNRWNDGD-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000668 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NatoSO4" ;
skos:prefLabel "natriumthiosulfaat"@nl .
csc:YNQLUTRBYVCPMQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7500 ;
dbo:casNumber "100-41-4" , "68908-88-3" , "70955-17-8" , "28213-80-1" ;
dbo:formula "C8H10" ;
dbo:inchi "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" ;
dbo:iupacName "Ethylbenzene"@en ;
dbo:pubchem "7500"^^xsd:int ;
dbo:smiles "CCC1=CC=CC=C1" ;
dbp:inchikey "YNQLUTRBYVCPMQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_001 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_100-41-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yBen" ;
skos:prefLabel "ethylbenzeen"@nl ;
vcs:vmmParameterId "213"^^xsd:int .
csc:HYHJOUPYTUBFIX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:155385 ;
dbo:casNumber "70628-36-3" ;
dbo:formula "C11H13NO3" ;
dbo:inchi "InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)" ;
dbo:iupacName "2-oxo-2-(phenyl-propan-2-ylamino)acetic acid"@en ;
dbo:pubchem "155385"^^xsd:int ;
dbo:smiles "CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O" ;
dbp:inchikey "HYHJOUPYTUBFIX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propCloxlt" ;
skos:prefLabel "propachlooroxalaat"@nl .
csc:OXOZHAWWRPCVGL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74821 ;
dbo:casNumber "2004-14-0" , "1066-40-6" ;
dbo:formula "C3H9LiOSi" ;
dbo:inchi "InChI=1S/C3H9OSi.Li/c1-5(2,3)4;/h1-3H3;/q-1;+1" ;
dbo:iupacName "lithium trimethyl-oxidosilane"@en ;
dbo:pubchem "74821"^^xsd:int ;
dbo:smiles "[Li+].C[Si](C)(C)[O-]" ;
dbp:inchikey "OXOZHAWWRPCVGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004479 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3yslnl" ;
skos:prefLabel "trimethylsilanol"@nl .
csc:DMLQSUZPTTUUDP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:177368 ;
dbo:casNumber "182346-21-0" ;
dbo:formula "C12H5Br5O" ;
dbo:inchi "InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H" ;
dbo:iupacName "1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene"@en ;
dbo:pubchem "177368"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2)Br)Br)Br" ;
dbp:inchikey "DMLQSUZPTTUUDP-UHFFFAOYSA-N" ;
skos:altLabel "2,2',3,4,4'-pentabroomdifenylether (bde85)"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_182346-21-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE85" ;
skos:prefLabel "2,2',3,4,4'-pentabroomdifenylether"@nl ;
vcs:vmmParameterId "932"^^xsd:int .
csc:NYNKJVPRTLBJNQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:75407 ;
dbo:casNumber "2372-82-9" ;
dbo:formula "C18H41N3" ;
dbo:inchi "InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3" ;
dbo:iupacName "N-(3-Aminopropyl)-N-dodecylpropane-1,3-diamine"@en ;
dbo:pubchem "75407"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCN(CCCN)CCCN" ;
dbp:inchikey "NYNKJVPRTLBJNQ-UHFFFAOYSA-N" ;
skos:altLabel "N-(3-aminopropyl)-N-dodecylpropaan-1,3-diamine"@nl ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N3AoC3yN12yC" ;
skos:prefLabel "n-(3-aminopropyl)-n-dodecylpropaan-1,3-diamine"@nl .
csc:JCXGWMGPZLAOME-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5359367 ;
dbo:casNumber "24267-48-9" , "17000-07-6" , "25243-76-9" , "7440-69-9" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi" ;
dbo:iupacName "BISMUTH"@en ;
dbo:pubchem "5359367"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "JCXGWMGPZLAOME-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi" ;
skos:prefLabel "bismut"@nl .
csc:ULYZAYCEDJDHCC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6361 ;
dbo:casNumber "75-29-6" ;
dbo:formula "C3H7Cl" ;
dbo:inchi "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" ;
dbo:iupacName "2-CHLOROPROPANE"@en ;
dbo:pubchem "6361"^^xsd:int ;
dbo:smiles "CC(C)Cl" ;
dbp:inchikey "ULYZAYCEDJDHCC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_002 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClC3a" ;
skos:prefLabel "2-chloorpropaan"@nl .
csc:IALRSQMWHFKJJA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:28455 ;
dbo:casNumber "17301-94-9" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3" ;
dbo:iupacName "4-METHYLNONANE"@en ;
dbo:pubchem "28455"^^xsd:int ;
dbo:smiles "CCCCCC(C)CCC" ;
dbp:inchikey "IALRSQMWHFKJJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yC9a" ;
skos:prefLabel "4-methylnonaan"@nl .
csc:BULLJMKUVKYZDJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:67733 ;
dbo:casNumber "355-43-1" ;
dbo:formula "C6F13I" ;
dbo:inchi "InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" ;
dbo:iupacName "1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane"@en ;
dbo:pubchem "67733"^^xsd:int ;
dbo:smiles "C(C(C(C(F)(F)I)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F" ;
dbp:inchikey "BULLJMKUVKYZDJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001518 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PF1IC6a" ;
skos:prefLabel "perfluor-1-joodhexaan"@nl .
csc:MWKVXOJATACCCH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6451155 ;
dbo:casNumber "163520-33-0" ;
dbo:formula "C18H17NO3" ;
dbo:inchi "InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3" ;
dbo:iupacName "ethyl 5,5-di(phenyl)-4H-1,2-oxazole-3-carboxylate"@en ;
dbo:pubchem "6451155"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=NOC(C1)(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "MWKVXOJATACCCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ixdfnC2y" ;
skos:prefLabel "isoxadifen-ethyl"@nl .
csc:HHXNVASVVVNNDG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:40480 ;
dbo:casNumber "52663-73-7" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-2-4(14)7(15)5(3)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "40480"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "HHXNVASVVVNNDG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB199" ;
skos:prefLabel "2,2',3,3',4,5,6,6'-octachloorbifenyl"@nl .
csc:NIMLQBUJDJZYEJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:169132 ;
dbo:casNumber "4098-71-9" , "53880-05-0" ;
dbo:formula "C12H18N2O2" ;
dbo:inchi "InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3" ;
dbo:iupacName "5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane"@en ;
dbo:pubchem "169132"^^xsd:int ;
dbo:smiles "CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C" ;
dbp:inchikey "NIMLQBUJDJZYEJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000501 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ifrDiCN" ;
skos:prefLabel "isoforon diisocyanaat"@nl .
csc:DPNNNPAKRZOSMO-UHFFFAOYSA-K
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:60714 ;
dbo:casNumber "120066-54-8" ;
dbo:formula "C17H29GdN4O7" ;
dbo:inchi "InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3" ;
dbo:iupacName "gadolinium(+3) cation; 2-[4-(2-hydroxypropyl)-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate"@en ;
dbo:pubchem "60714"^^xsd:int ;
dbo:smiles "CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]" ;
dbp:inchikey "DPNNNPAKRZOSMO-UHFFFAOYSA-K" ;
skos:broader csc:CHEMONTID_0002404 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gadtrdl" ;
skos:prefLabel "gadoteridol"@nl .
csc:YTNKWDJILNVLGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:71764 ;
dbo:casNumber "81403-68-1" , "81403-80-7" ;
dbo:formula "C19H28ClN5O4" ;
dbo:inchi "InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H" ;
dbo:iupacName "N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride"@en ;
dbo:pubchem "71764"^^xsd:int ;
dbo:smiles "CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl" ;
dbp:inchikey "YTNKWDJILNVLGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alfzsn" ;
skos:prefLabel "alfuzosin"@nl .
csc:HXQPUEQDBSPXTE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7957 ;
dbo:casNumber "84295-44-3" , "108-82-7" ;
dbo:formula "C9H20O" ;
dbo:inchi "InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3" ;
dbo:iupacName "2,6-Dimethylheptan-4-ol"@en ;
dbo:pubchem "7957"^^xsd:int ;
dbo:smiles "CC(C)CC(CC(C)C)O" ;
dbp:inchikey "HXQPUEQDBSPXTE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1y4C7ol" ;
skos:prefLabel "2,6-dimethyl-4-heptanol"@nl .
csc:UIWXSTHGICQLQT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7750 ;
dbo:casNumber "170016-12-3" , "25035-84-1" , "105-38-4" ;
dbo:formula "C5H8O2" ;
dbo:inchi "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3" ;
dbo:iupacName "ethenyl propanoate"@en ;
dbo:pubchem "7750"^^xsd:int ;
dbo:smiles "CCC(=O)OC=C" ;
dbp:inchikey "UIWXSTHGICQLQT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002354 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "polvnppont" ;
skos:prefLabel "polyvinylpropionaat"@nl .
csc:VPWNQTHUCYMVMZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6626 ;
dbo:casNumber "80-09-1" , "98388-00-2" ;
dbo:formula "C12H10O4S" ;
dbo:inchi "InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H" ;
dbo:iupacName "4-(4-hydroxyphenyl)sulfonylphenol"@en ;
dbo:pubchem "6626"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O" ;
dbp:inchikey "VPWNQTHUCYMVMZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44sulfnDFol" ;
skos:prefLabel "4,4'-sulfonyldifenol"@nl .
csc:KFUSEUYYWQURPO-UPHRSURJSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:643833 ;
dbo:casNumber "156-59-2" ;
dbo:formula "C2H2Cl2" ;
dbo:inchi "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" ;
dbo:iupacName "(Z)-1,2-Dichloroethene"@en ;
dbo:pubchem "643833"^^xsd:int ;
dbo:smiles "C(=CCl)Cl" ;
dbp:inchikey "KFUSEUYYWQURPO-UPHRSURJSA-N" ;
dct:isReferencedBy co:LUC_IV_011 ;
skos:altLabel "1,2-dichlooretheen,cis"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_156-59-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c12DClC2e" ;
skos:prefLabel "cis-1,2-dichlooretheen"@nl ;
vcs:vmmParameterId "715"^^xsd:int .
csc:DBVJJBKOTRCVKF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3305 ;
dbo:casNumber "66216-98-6" , "100511-44-2" , "86159-18-4" , "129130-42-3" , "2809-21-4" , "106908-76-3" , "51888-66-5" , "85985-26-8" ;
dbo:formula "C2H8O7P2" ;
dbo:inchi "InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)" ;
dbo:iupacName "['(1-hydroxy-1-phosphonoethyl)phosphonic acid', 'trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium']"@en ;
dbo:pubchem "3305"^^xsd:int ;
dbo:smiles "CC(O)(P(=O)(O)O)P(=O)(O)O" ;
dbp:inchikey "DBVJJBKOTRCVKF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000327 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HEDP" ;
skos:prefLabel "1-hydroxyethylideen-1,1-difosfonzuur"@nl .
csc:YCMLQMDWSXFTIF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6924 ;
dbo:casNumber "8013-74-9" , "1333-07-9" , "88-19-7" ;
dbo:formula "C7H9NO2S" ;
dbo:inchi "InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)" ;
dbo:iupacName "2-Methylbenzenesulfonamide"@en ;
dbo:pubchem "6924"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1S(=O)(=O)N" ;
dbp:inchikey "YCMLQMDWSXFTIF-UHFFFAOYSA-N" ;
skos:altLabel "o-tolueensulfonamide"@nl ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oTolsfAd" , "TSA" ;
skos:prefLabel "tolueensulfonamide"@nl .
csc:NCFTXMQPRQZFMZ-WERGMSTESA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:44186 ;
dbo:casNumber "62893-19-0" , "62893-20-3" ;
dbo:formula "C25H26N9NaO8S2" ;
dbo:inchi "InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1" ;
dbo:iupacName "sodium (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "44186"^^xsd:int ;
dbo:smiles "CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]" ;
dbp:inchikey "NCFTXMQPRQZFMZ-WERGMSTESA-M" ;
skos:broader csc:CHEMONTID_0001189 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cefobid"@nl .
csc:PFIADAMVCJPXSF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17581 ;
dbo:casNumber "2675-77-6" ;
dbo:formula "C8H8Cl2O2" ;
dbo:inchi "InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3" ;
dbo:iupacName "1,4-Dichloro-2,5-dimethoxybenzene"@en ;
dbo:pubchem "17581"^^xsd:int ;
dbo:smiles "COC1=CC(=C(C=C1Cl)OC)Cl" ;
dbp:inchikey "PFIADAMVCJPXSF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clnb" ;
skos:prefLabel "chloroneb"@nl .
csc:LLYYNOVSVPBRGV-NFQTWZMKSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:443605 ;
dbo:casNumber "101312-92-9" ;
dbo:formula "C31H52N2O5S" ;
dbo:inchi "InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19?,20-,22+,24?,25-,26-,29+,30-,31-/m0/s1" ;
dbo:iupacName "[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[(2-amino-3-methylbutanoyl)amino]-2-methylpropan-2-yl]sulfanylacetate"@en ;
dbo:pubchem "443605"^^xsd:int ;
dbo:smiles "CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C" ;
dbp:inchikey "LLYYNOVSVPBRGV-NFQTWZMKSA-N" ;
skos:broader csc:CHEMONTID_0002003 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "valnemuline"@nl .
csc:NTUBJKOTTSFEEV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:70139 ;
dbo:casNumber "877-09-8" ;
dbo:formula "C8H6Cl4" ;
dbo:inchi "InChI=1S/C8H6Cl4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3" ;
dbo:iupacName "1,2,3,5-tetrachloro-4,6-dimethylbenzene"@en ;
dbo:pubchem "70139"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1Cl)Cl)Cl)C)Cl" ;
dbp:inchikey "NTUBJKOTTSFEEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1235T4Cl46DC" ;
skos:prefLabel "1,2,3,5-tetrachloor-4,6-dimethylbenzeen"@nl .
csc:MWGATWIBSKHFMR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31235 ;
dbo:casNumber "122-98-5" ;
dbo:formula "C8H11NO" ;
dbo:inchi "InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2" ;
dbo:iupacName "2-(Phenylamino)ethanol"@en ;
dbo:pubchem "31235"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NCCO" ;
dbp:inchikey "MWGATWIBSKHFMR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyAoC2ol" ;
skos:prefLabel "2-fenylamino-ethanol"@nl .
csc:QPCDCPDFJACHGM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3053 ;
dbo:casNumber "6889-50-5" , "7575-40-8" , "67-43-6" , "25737-54-6" , "49758-21-6" , "13407-13-1" , "84932-15-0" ;
dbo:formula "C14H23N3O10" ;
dbo:inchi "InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)" ;
dbo:iupacName "2-[bis[2-(bis(carboxymethyl)amino)ethyl]amino]acetic acid"@en ;
dbo:pubchem "3053"^^xsd:int ;
dbo:smiles "C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O" ;
dbp:inchikey "QPCDCPDFJACHGM-UHFFFAOYSA-N" ;
skos:altLabel "di-ethyleentriaminepentaazijnzuur (DTPA)"@nl , "diethyleentriaminepenta-azijnzuur"@nl ;
skos:broader csc:CHEMONTID_0002995 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DTPA" ;
skos:prefLabel "di-ethyleentriaminepentaazijnzuur (dtpa)"@nl .
csc:KRTSDMXIXPKRQR-AATRIKPKSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5371562 ;
dbo:casNumber "6923-22-4" , "2157-98-4" , "83857-41-4" ;
dbo:formula "C7H14NO5P" ;
dbo:inchi "InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+" ;
dbo:iupacName "['dimethyl (4-methylamino-4-oxobut-2-en-2-yl) phosphate', 'dimethyl [(E)-4-methylamino-4-oxobut-2-en-2-yl] phosphate']"@en ;
dbo:pubchem "5371562"^^xsd:int ;
dbo:smiles "CC(=CC(=O)NC)OP(=O)(OC)OC" ;
dbp:inchikey "KRTSDMXIXPKRQR-AATRIKPKSA-N" ;
skos:altLabel "azodrin"@nl ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mctfs" , "azdn" ;
skos:prefLabel "monocrotofos"@nl .
csc:HCWPIIXVSYCSAN-BJUDXGSMSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6336607 ;
dbo:casNumber "13981-53-8" ;
dbo:formula "Ra" ;
dbo:inchi "InChI=1S/Ra/i1-1" ;
dbo:iupacName "radium-225"@en ;
dbo:pubchem "6336607"^^xsd:int ;
dbo:smiles "[Ra]" ;
dbp:inchikey "HCWPIIXVSYCSAN-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ra225" ;
skos:prefLabel "radium 225"@nl .
csc:RZILCCPWPBTYDO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16562 ;
dbo:casNumber "2164-17-2" ;
dbo:formula "C10H11F3N2O" ;
dbo:inchi "InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" ;
dbo:iupacName "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea"@en ;
dbo:pubchem "16562"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F" ;
dbp:inchikey "RZILCCPWPBTYDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluomtrn" ;
skos:prefLabel "fluometuron"@nl .
csc:CGSLYBDCEGBZCG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14716 ;
dbo:casNumber "1241-94-7" ;
dbo:formula "C20H27O4P" ;
dbo:inchi "InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3" ;
dbo:iupacName "2-Ethylhexyl diphenyl phosphate"@en ;
dbo:pubchem "14716"^^xsd:int ;
dbo:smiles "CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2" ;
dbp:inchikey "CGSLYBDCEGBZCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6yDFyPO" ;
skos:prefLabel "2-ethylhexyldifenylfosfaat"@nl .
csc:OKKJLVBELUTLKV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:887 ;
dbo:casNumber "67-56-1" , "54841-71-3" ;
dbo:formula "CH4O" ;
dbo:inchi "InChI=1S/CH4O/c1-2/h2H,1H3" ;
dbo:iupacName "methanol"@en ;
dbo:pubchem "887"^^xsd:int ;
dbo:smiles "CO" ;
dbp:inchikey "OKKJLVBELUTLKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1ol" ;
skos:prefLabel "methanol"@nl .
csc:JTSDBFGMPLKDCD-SWSPHLSKSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436128 ;
dbo:casNumber "108050-54-0" ;
dbo:formula "C46H80N2O13" ;
dbo:inchi "InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26?,27?,28-,29+,30-,31-,32+,33-,35?,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1" ;
dbo:iupacName "(5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-dimethylamino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione"@en ;
dbo:pubchem "6436128"^^xsd:int ;
dbo:smiles "CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC" ;
dbp:inchikey "JTSDBFGMPLKDCD-SWSPHLSKSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tilmcsne" ;
skos:prefLabel "tilmicosine"@nl .
csc:HCWPIIXVSYCSAN-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328553 ;
dbo:casNumber "15262-20-1" ;
dbo:formula "Ra" ;
dbo:inchi "InChI=1S/Ra/i1+2" ;
dbo:iupacName "radium-228"@en ;
dbo:pubchem "6328553"^^xsd:int ;
dbo:smiles "[Ra]" ;
dbp:inchikey "HCWPIIXVSYCSAN-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ra228" ;
skos:prefLabel "radium 228"@nl .
csc:KVNYFPKFSJIPBJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8657 ;
dbo:casNumber "135-01-3" , "1300-82-9" , "25340-17-4" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "1,2-DIETHYLBENZENE"@en ;
dbo:pubchem "8657"^^xsd:int ;
dbo:smiles "CCC1=CC=CC=C1CC" ;
dbp:inchikey "KVNYFPKFSJIPBJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DC2yBen" ;
skos:prefLabel "1,2-diethylbenzeen"@nl .
csc:RDBIYWSVMRVKSG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12572 ;
dbo:casNumber "644-64-4" ;
dbo:formula "C10H16N4O3" ;
dbo:inchi "InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3" ;
dbo:iupacName "[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate"@en ;
dbo:pubchem "12572"^^xsd:int ;
dbo:smiles "CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C" ;
dbp:inchikey "RDBIYWSVMRVKSG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000087 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dimtln" ;
skos:prefLabel "dimetilan"@nl .
csc:KNHJIEOCVVIBIV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:137096 ;
dbo:casNumber "1591-99-7" ;
dbo:formula "C9H9NO" ;
dbo:inchi "InChI=1S/C9H9NO/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3" ;
dbo:iupacName "1-Isocyanato-2,3-dimethylbenzene"@en ;
dbo:pubchem "137096"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)N=C=O)C" ;
dbp:inchikey "KNHJIEOCVVIBIV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yFyiCN" ;
skos:prefLabel "2,3-dimethylfenyl isocyanaat"@nl .
csc:VGHPMIFEKOFHHQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86422 ;
dbo:casNumber "139528-85-1" ;
dbo:formula "C14H13Cl2N5O4S" ;
dbo:inchi "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" ;
dbo:iupacName "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide"@en ;
dbo:pubchem "86422"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C=C1)Cl)NS(=O)(=O)C2=NN3C(=CC(=NC3=N2)OC)OC)Cl" ;
dbp:inchikey "VGHPMIFEKOFHHQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004682 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metslm" ;
skos:prefLabel "metosulam"@nl .
csc:KGVPNLBXJKTABS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24781 ;
dbo:casNumber "128907-24-4" , "10004-44-1" ;
dbo:formula "C4H5NO2" ;
dbo:inchi "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" ;
dbo:iupacName "5-methyl-1,2-oxazol-3-one"@en ;
dbo:pubchem "24781"^^xsd:int ;
dbo:smiles "CC1=CC(=O)NO1" ;
dbp:inchikey "KGVPNLBXJKTABS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000081 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hymxzl" ;
skos:prefLabel "hymexazool"@nl .
csc:YLFSVIMMRPNPFK-VAWYXSNFSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6242405 ;
dbo:casNumber "103833-18-7" ;
dbo:formula "C26H21F6NO5" ;
dbo:inchi "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11+" ;
dbo:iupacName "['[cyano-[3-(phenoxy)phenyl]methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-[(E)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate']"@en ;
dbo:pubchem "6242405"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C" ;
dbp:inchikey "YLFSVIMMRPNPFK-VAWYXSNFSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acntn" ;
skos:prefLabel "acrinathrin"@nl .
csc:TYYBFXNZMFNZJT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3742 ;
dbo:casNumber "59017-64-0" ;
dbo:formula "C24H21I6N5O8" ;
dbo:inchi "InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)" ;
dbo:iupacName "3-[[2-[[3-(acetyl-methylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid"@en ;
dbo:pubchem "3742"^^xsd:int ;
dbo:smiles "CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I" ;
dbp:inchikey "TYYBFXNZMFNZJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "joxgnzr" ;
skos:prefLabel "joxaglinezuur"@nl .
csc:RLYCRLGLCUXUPO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13205 ;
dbo:casNumber "823-40-5" ;
dbo:formula "C7H10N2" ;
dbo:inchi "InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3" ;
dbo:iupacName "2-methylbenzene-1,3-diamine"@en ;
dbo:pubchem "13205"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1N)N" ;
dbp:inchikey "RLYCRLGLCUXUPO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003965 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26TolDAe" ;
skos:prefLabel "2,6-tolueendiamine"@nl .
csc:MLUCVPSAIODCQM-IHWYPQMZSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:643950 ;
dbo:casNumber "4170-30-3" ;
dbo:formula "C4H6O" ;
dbo:inchi "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-" ;
dbo:iupacName "(Z)-but-2-enal"@en ;
dbo:pubchem "643950"^^xsd:int ;
dbo:smiles "CC=CC=O" ;
dbp:inchikey "MLUCVPSAIODCQM-IHWYPQMZSA-N" ;
skos:broader csc:CHEMONTID_0002436 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aclinC1y" ;
skos:prefLabel "2-butenal (cis en trans)"@nl .
csc:JXCGFZXSOMJFOA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27375 ;
dbo:casNumber "15545-48-9" , "11111-56-1" ;
dbo:formula "C10H13ClN2O" ;
dbo:inchi "InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)" ;
dbo:iupacName "3-(3-chloro-4-methylphenyl)-1,1-dimethylurea"@en ;
dbo:pubchem "27375"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl" ;
dbp:inchikey "JXCGFZXSOMJFOA-UHFFFAOYSA-N" ;
skos:altLabel "chlorotoluron"@nl ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_15545-48-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cltlrn" ;
skos:prefLabel "chloortoluron"@nl ;
vcs:vmmParameterId "269"^^xsd:int .
csc:ZPZKADHMBHMAES-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62431 ;
dbo:casNumber "2164-07-0" ;
dbo:formula "C8H8K2O5" ;
dbo:inchi "InChI=1S/C8H10O5.2K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2" ;
dbo:iupacName "dipotassium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate"@en ;
dbo:pubchem "62431"^^xsd:int ;
dbo:smiles "C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[K+].[K+]" ;
dbp:inchikey "ZPZKADHMBHMAES-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DKedtl" ;
skos:prefLabel "dikalium endothall"@nl .
csc:ZCXGMSGCBDSEOY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:30647 ;
dbo:casNumber "941-57-1" ;
dbo:formula "C7H5NO3S2" ;
dbo:inchi "InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)" ;
dbo:iupacName "1,3-benzothiazole-2-sulfonic acid"@en ;
dbo:pubchem "30647"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O" ;
dbp:inchikey "ZCXGMSGCBDSEOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13benztaz2sf" ;
skos:prefLabel "1,3-benzothiazool-2-sulfonzuur"@nl .
csc:VEQOALNAAJBPNY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2206 ;
dbo:casNumber "60-80-0" , "5779-41-9" , "123175-91-7" ;
dbo:formula "C11H12N2O" ;
dbo:inchi "InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3" ;
dbo:iupacName "1,5-dimethyl-2-phenylpyrazol-3-one"@en ;
dbo:pubchem "2206"^^xsd:int ;
dbo:smiles "CC1=CC(=O)N(N1C)C2=CC=CC=C2" ;
dbp:inchikey "VEQOALNAAJBPNY-UHFFFAOYSA-N" ;
skos:altLabel "fenazon"@nl ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenzn" ;
skos:prefLabel "fenazon (antipyrine)"@nl .
csc:UFNOUKDBUJZYDE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86132 ;
dbo:casNumber "113096-99-4" , "94361-06-5" ;
dbo:formula "C15H18ClN3O" ;
dbo:inchi "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" ;
dbo:iupacName "2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "86132"^^xsd:int ;
dbo:smiles "CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O" ;
dbp:inchikey "UFNOUKDBUJZYDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cypcnzl" ;
skos:prefLabel "cyproconazool"@nl .
csc:BASFCYQUMIYNBI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:23939 ;
dbo:casNumber "21547-63-7" , "7440-06-4" ;
dbo:formula "Pt" ;
dbo:inchi "InChI=1S/Pt" ;
dbo:iupacName "PLATINUM"@en ;
dbo:pubchem "23939"^^xsd:int ;
dbo:smiles "[Pt]" ;
dbp:inchikey "BASFCYQUMIYNBI-UHFFFAOYSA-N" ;
skos:altLabel "platina (Pt)"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "Platina en zijn verbindingen, uitgedrukt als Pt"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pt" ;
skos:prefLabel "platina"@nl .
csc:QPJDMGCKMHUXFD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:10477 ;
dbo:casNumber "506-77-4" ;
dbo:formula "CClN" ;
dbo:inchi "InChI=1S/CClN/c2-1-3" ;
dbo:iupacName "carbononitridic chloride"@en ;
dbo:pubchem "10477"^^xsd:int ;
dbo:smiles "C(#N)Cl" ;
dbp:inchikey "QPJDMGCKMHUXFD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004084 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "chloorcyaan"@nl .
csc:IZUPBVBPLAPZRR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:992 ;
dbo:casNumber "39390-77-7" , "87-86-5" , "101802-54-4" ;
dbo:formula "C6HCl5O" ;
dbo:inchi "InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H" ;
dbo:iupacName "2,3,4,5,6-Pentachlorophenol"@en ;
dbo:pubchem "992"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O" ;
dbp:inchikey "IZUPBVBPLAPZRR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_87-86-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClFol" ;
skos:prefLabel "pentachloorfenol"@nl ;
vcs:vmmParameterId "259"^^xsd:int .
csc:KFZMGEQAYNKOFK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:3776 ;
dbo:casNumber "8013-70-5" , "5131-95-3" , "67-63-0" ;
dbo:formula "C3H8O" ;
dbo:inchi "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" ;
dbo:iupacName "Propan-2-ol"@en ;
dbo:pubchem "3776"^^xsd:int ;
dbo:smiles "CC(C)O" ;
dbp:inchikey "KFZMGEQAYNKOFK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_009 , co:LUC_IV_012 ;
skos:altLabel "isopropanol"@nl ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3ol" ;
skos:prefLabel "2-propanol"@nl .
csc:PYLWMHQQBFSUBP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10008 ;
dbo:casNumber "462-06-6" ;
dbo:formula "C6H5F" ;
dbo:inchi "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "Fluorobenzene"@en ;
dbo:pubchem "10008"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)F" ;
dbp:inchikey "PYLWMHQQBFSUBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6H5F" ;
skos:prefLabel "fluorbenzeen"@nl .
csc:GPXLRLUVLMHHIK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:93379 ;
dbo:casNumber "68157-60-8" ;
dbo:formula "C12H10ClN3O" ;
dbo:inchi "InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)" ;
dbo:iupacName "3-(2-chloropyridin-4-yl)-1-phenylurea"@en ;
dbo:pubchem "93379"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl" ;
dbp:inchikey "GPXLRLUVLMHHIK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fClfnrn" ;
skos:prefLabel "forchlorfenuron"@nl .
csc:IMROMDMJAWUWLK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11199 ;
dbo:casNumber "557-75-5" , "9002-89-5" ;
dbo:formula "C2H4O" ;
dbo:inchi "InChI=1S/C2H4O/c1-2-3/h2-3H,1H2" ;
dbo:iupacName "Ethenol"@en ;
dbo:pubchem "11199"^^xsd:int ;
dbo:smiles "C=CO" ;
dbp:inchikey "IMROMDMJAWUWLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000132 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "polvnachl" ;
skos:prefLabel "polyvinylalcohol"@nl .
csc:CPEUVMUXAHMANV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:35802 ;
dbo:casNumber "31430-15-6" ;
dbo:formula "C16H12FN3O3" ;
dbo:inchi "InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)" ;
dbo:iupacName "methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate"@en ;
dbo:pubchem "35802"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F" ;
dbp:inchikey "CPEUVMUXAHMANV-UHFFFAOYSA-N" ;
skos:altLabel "flubendazol"@nl ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flubdzle" ;
skos:prefLabel "flubendazole"@nl .
csc:AQIHMSVIAGNIDM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12056 ;
dbo:casNumber "618-32-6" ;
dbo:formula "C7H5BrO" ;
dbo:inchi "InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "BENZOYL BROMIDE"@en ;
dbo:pubchem "12056"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)Br" ;
dbp:inchikey "AQIHMSVIAGNIDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000176 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzyBr" ;
skos:prefLabel "benzoylbromide"@nl .
csc:NUJGJRNETVAIRJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:454 ;
dbo:casNumber "124-13-0" ;
dbo:formula "C8H16O" ;
dbo:inchi "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3" ;
dbo:iupacName "Octanal"@en ;
dbo:pubchem "454"^^xsd:int ;
dbo:smiles "CCCCCCCC=O" ;
dbp:inchikey "NUJGJRNETVAIRJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8al" ;
skos:prefLabel "octanal"@nl .
csc:BHRZNVHARXXAHW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24874 ;
dbo:casNumber "13250-12-9" , "13952-84-6" , "513-49-5" , "33966-50-6" , "776995-07-4" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3" ;
dbo:iupacName "butan-2-amine"@en ;
dbo:pubchem "24874"^^xsd:int ;
dbo:smiles "CCC(C)N" ;
dbp:inchikey "BHRZNVHARXXAHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "secC4yAe" ;
skos:prefLabel "sec-butylamine"@nl .
csc:WBTMFEPLVQOWFI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:38878 ;
dbo:casNumber "41464-42-0" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-1-2-12(16)11(6-8)7-3-9(14)5-10(15)4-7/h1-6H" ;
dbo:iupacName "1,3-dichloro-5-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "38878"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=CC(=CC(=C2)Cl)Cl)Cl" ;
dbp:inchikey "WBTMFEPLVQOWFI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB72" ;
skos:prefLabel "2,3',5,5'-tetrachloorbifenyl"@nl .
csc:DEWVPZYHFVYXMZ-QCILGFJPSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65419 ;
dbo:casNumber "52508-35-7" , "55600-00-5" , "55819-26-6" , "62938-94-7" ;
dbo:formula "C12H17NaO7" ;
dbo:inchi "InChI=1S/C12H18O7.Na/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);/q;+1/p-1/t6-,7+,8-,12+;/m0./s1" ;
dbo:iupacName "sodium;(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate"@en ;
dbo:pubchem "65419"^^xsd:int ;
dbo:smiles "CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)[O-])C.[Na+]" ;
dbp:inchikey "DEWVPZYHFVYXMZ-QCILGFJPSA-M" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dikglNa" ;
skos:prefLabel "dikegulac-natrium"@nl .
csc:PGPNJCAMHOJTEF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23436 ;
dbo:casNumber "7005-72-3" , "55398-86-2" ;
dbo:formula "C12H9ClO" ;
dbo:inchi "InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H" ;
dbo:iupacName "1-chloro-4-(phenoxy)benzene"@en ;
dbo:pubchem "23436"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl" ;
dbp:inchikey "PGPNJCAMHOJTEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClFyFyEtr" ;
skos:prefLabel "4-chloorfenyl fenylether"@nl .
csc:DCOPUUMXTXDBNB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033 ;
dbo:casNumber "15307-86-5" ;
dbo:formula "C14H11Cl2NO2" ;
dbo:inchi "InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)" ;
dbo:iupacName "2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid"@en ;
dbo:pubchem "3033"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl" ;
dbp:inchikey "DCOPUUMXTXDBNB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_15307-86-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dclofnc" ;
skos:prefLabel "diclofenac"@nl ;
vcs:vmmParameterId "1398"^^xsd:int .
csc:UKHUPOMCGUFNAP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22141518 ;
dbo:casNumber "749786-16-1" ;
dbo:formula "C11HF23O3S" ;
dbo:inchi "InChI=1S/C11HF23O3S/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32)3(16,17)5(20,21)7(24,25)9(28,29)11(33,34)38(35,36)37/h(H,35,36,37)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecane-1-sulfonic acid"@en ;
dbo:pubchem "22141518"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "UKHUPOMCGUFNAP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFUnDS" ;
skos:prefLabel "perfluor-n-undecaansulfonzuur "@nl .
csc:BZRUVKZGXNSXMB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23712 ;
dbo:casNumber "109829-45-0" , "7286-69-3" ;
dbo:formula "C9H16ClN5" ;
dbo:inchi "InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "N-butan-2-yl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "23712"^^xsd:int ;
dbo:smiles "CCC(C)NC1=NC(=NC(=N1)NCC)Cl" ;
dbp:inchikey "BZRUVKZGXNSXMB-UHFFFAOYSA-N" ;
skos:altLabel "sebutylazine"@nl ;
skos:broader csc:CHEMONTID_0004734 ;
skos:exactMatch wise:CAS_7286-69-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "seC4yazne" ;
skos:prefLabel "sebuthylazine"@nl ;
vcs:vmmParameterId "509"^^xsd:int .
csc:COYBRKAVBMYYSF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:93528 ;
dbo:casNumber "99607-70-2" ;
dbo:formula "C18H22ClNO3" ;
dbo:inchi "InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3" ;
dbo:iupacName "heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate"@en ;
dbo:pubchem "93528"^^xsd:int ;
dbo:smiles "CCCCCC(C)OC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2" ;
dbp:inchikey "COYBRKAVBMYYSF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cloqtcmxl" ;
skos:prefLabel "cloquintoceet-mexyl"@nl .
csc:FEPBITJSIHRMRT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4765 ;
dbo:casNumber "28469-73-0" , "98-67-9" ;
dbo:formula "C6H6O4S" ;
dbo:inchi "InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)" ;
dbo:iupacName "4-Hydroxybenzenesulfonic acid"@en ;
dbo:pubchem "4765"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1O)S(=O)(=O)O" ;
dbp:inchikey "FEPBITJSIHRMRT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pFolsfzr" ;
skos:prefLabel "p-fenolsulfonzuur"@nl .
csc:ZDZOTLJHXYCWBA-VCVYQWHSSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:148124 ;
dbo:casNumber "114977-28-5" ;
dbo:formula "C43H53NO14" ;
dbo:inchi "InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1" ;
dbo:iupacName "[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"@en ;
dbo:pubchem "148124"^^xsd:int ;
dbo:smiles "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O" ;
dbp:inchikey "ZDZOTLJHXYCWBA-VCVYQWHSSA-N" ;
skos:broader csc:CHEMONTID_0000676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "doctxl" ;
skos:prefLabel "docetaxel"@nl .
csc:UPUGLJYNCXXUQV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17242 ;
dbo:casNumber "2497-07-6" ;
dbo:formula "C8H19O3PS3" ;
dbo:inchi "InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "17242"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCCS(=O)CC" ;
dbp:inchikey "UPUGLJYNCXXUQV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DsftSO" ;
skos:prefLabel "disulfoton-sulfoxide"@nl .
csc:LJQOBQLZTUSEJA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38410 ;
dbo:casNumber "40186-71-8" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-6(16)11(19)12(20)7(3)8-9(17)4(14)2-5(15)10(8)18/h1-2H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,3,5,6-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "38410"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "LJQOBQLZTUSEJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB201" ;
skos:prefLabel "2,2',3,3',4,5',6,6'-octachloorbifenyl"@nl .
csc:BQCADISMDOOEFD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23954 ;
dbo:casNumber "87354-45-8" , "12553-68-3" , "7440-22-4" , "87370-84-1" , "15046-91-0" ;
dbo:formula "Ag" ;
dbo:inchi "InChI=1S/Ag" ;
dbo:iupacName "Silver"@en ;
dbo:pubchem "23954"^^xsd:int ;
dbo:smiles "[Ag]" ;
dbp:inchikey "BQCADISMDOOEFD-UHFFFAOYSA-N" ;
skos:altLabel "zilver"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7440-22-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ag" ;
skos:prefLabel "zilver, opgelost"@nl ;
vcs:vmmParameterId "201"^^xsd:int , "200"^^xsd:int , "1917"^^xsd:int , "1985"^^xsd:int , "202"^^xsd:int .
csc:KFRVYYGHSPLXSZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13527 ;
dbo:casNumber "919-94-8" ;
dbo:formula "C7H16O" ;
dbo:inchi "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" ;
dbo:iupacName "2-Ethoxy-2-methylbutane"@en ;
dbo:pubchem "13527"^^xsd:int ;
dbo:smiles "CCC(C)(C)OCC" ;
dbp:inchikey "KFRVYYGHSPLXSZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2ox2C1yC4a" ;
skos:prefLabel "2-ethoxy-2-methylbutaan"@nl .
csc:ZDYJWDIWLRZXDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:246598 ;
dbo:casNumber "3424-82-6" ;
dbo:formula "C14H8Cl4" ;
dbo:inchi "InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H" ;
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethenyl]benzene"@en ;
dbo:pubchem "246598"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "ZDYJWDIWLRZXDB-UHFFFAOYSA-N" ;
skos:altLabel "op'dichloordifenyldichlooretheen"@nl , "o,p\uFFFD-dde"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_3424-82-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DDE" ;
skos:prefLabel "2,4'-dichloordifenyldichlooretheen"@nl ;
vcs:vmmParameterId "256"^^xsd:int .
csc:STAPBGVGYWCRTF-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19292 ;
dbo:casNumber "11100-01-9" , "3653-48-3" , "11114-06-0" ;
dbo:formula "C9H8ClNaO3" ;
dbo:inchi "InChI=1S/C9H9ClO3.Na/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1" ;
dbo:iupacName "sodium 2-(4-chloro-2-methylphenoxy)acetate"@en ;
dbo:pubchem "19292"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Na+]" ;
dbp:inchikey "STAPBGVGYWCRTF-UHFFFAOYSA-M" ;
skos:altLabel "MCPA natriumzout"@nl ;
skos:broader csc:CHEMONTID_0004525 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCPANazt" ;
skos:prefLabel "mcpa natriumzout"@nl .
csc:JLLJHQLUZAKJFH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:41648 ;
dbo:casNumber "55861-78-4" ;
dbo:formula "C10H17N3O2" ;
dbo:inchi "InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)" ;
dbo:iupacName "3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea"@en ;
dbo:pubchem "41648"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C" ;
dbp:inchikey "JLLJHQLUZAKJFH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003886 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iurn" ;
skos:prefLabel "isouron"@nl .
csc:VHCNQEUWZYOAEV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38854 ;
dbo:casNumber "41394-05-2" ;
dbo:formula "C10H10N4O" ;
dbo:inchi "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" ;
dbo:iupacName "4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5-one"@en ;
dbo:pubchem "38854"^^xsd:int ;
dbo:smiles "CC1=NN=C(C(=O)N1N)C2=CC=CC=C2" ;
dbp:inchikey "VHCNQEUWZYOAEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004107 ;
skos:exactMatch wise:CAS_41394-05-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mmtn" ;
skos:prefLabel "metamitron"@nl ;
vcs:vmmParameterId "1233"^^xsd:int .
csc:SQYNKIJPMDEDEG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31264 ;
dbo:casNumber "51289-71-5" , "1499-02-1" , "123-63-7" ;
dbo:formula "C6H12O3" ;
dbo:inchi "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3" ;
dbo:iupacName "2,4,6-Trimethyl-1,3,5-trioxane"@en ;
dbo:pubchem "31264"^^xsd:int ;
dbo:smiles "CC1OC(OC(O1)C)C" ;
dbp:inchikey "SQYNKIJPMDEDEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001853 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "parAh" ;
skos:prefLabel "paraldehyde"@nl .
csc:VEXZGXHMUGYJMC-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:312 ;
dbo:casNumber "16887-00-6" ;
dbo:formula "Cl-" ;
dbo:inchi "InChI=1S/ClH/h1H/p-1" ;
dbo:iupacName "chloride"@en ;
dbo:pubchem "312"^^xsd:int ;
dbo:smiles "[Cl-]" ;
dbp:inchikey "VEXZGXHMUGYJMC-UHFFFAOYSA-M" ;
dct:isReferencedBy co:LUC_III_002 , co:WAC_V_B_003 , co:CMA_2_I_C , co:WAC_III_D_020 ;
skos:broader csc:CHEMONTID_0000548 ;
skos:exactMatch wise:CAS_16887-00-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cl" ;
skos:prefLabel "chloride"@nl ;
vcs:vmmParameterId "4"^^xsd:int , "1793"^^xsd:int , "2119"^^xsd:int .
csc:HYFLWBNQFMXCPA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11903 ;
dbo:casNumber "611-14-3" , "25550-14-5" , "25154-47-6" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3" ;
dbo:iupacName "1-Ethyl-2-methylbenzene"@en ;
dbo:pubchem "11903"^^xsd:int ;
dbo:smiles "CCC1=CC=CC=C1C" ;
dbp:inchikey "HYFLWBNQFMXCPA-UHFFFAOYSA-N" ;
skos:altLabel "ethyltolueen"@nl ;
skos:broader csc:CHEMONTID_0001091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yTol" , "C2yTol" ;
skos:prefLabel "2-ethyltolueen"@nl .
csc:QHZSDTDMQZPUKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36981 ;
dbo:casNumber "34883-41-5" ;
dbo:formula "C12H8Cl2" ;
dbo:inchi "InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H" ;
dbo:iupacName "1,3-dichloro-5-phenylbenzene"@en ;
dbo:pubchem "36981"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl" ;
dbp:inchikey "QHZSDTDMQZPUKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB14" ;
skos:prefLabel "3,5-dichloorbifenyl"@nl .
csc:DNVLJEWNNDHELH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:35970 ;
dbo:casNumber "84523-34-2" , "31895-21-3" ;
dbo:formula "C5H11NS3" ;
dbo:inchi "InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3" ;
dbo:iupacName "N,N-dimethyltrithian-5-amine"@en ;
dbo:pubchem "35970"^^xsd:int ;
dbo:smiles "CN(C)C1CSSSC1" ;
dbp:inchikey "DNVLJEWNNDHELH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001862 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "toccm" ;
skos:prefLabel "thiocyclam"@nl .
csc:QAHFOPIILNICLA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13728 ;
dbo:casNumber "957-51-7" , "73413-06-6" , "5104-31-4" , "12697-94-8" ;
dbo:formula "C16H17NO" ;
dbo:inchi "InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3" ;
dbo:iupacName "N,N-dimethyl-2,2-di(phenyl)acetamide"@en ;
dbo:pubchem "13728"^^xsd:int ;
dbo:smiles "CN(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2" ;
dbp:inchikey "QAHFOPIILNICLA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DfAd" ;
skos:prefLabel "difenamide"@nl .
csc:SRMWNTGHXHOWBT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3034468 ;
dbo:casNumber "122526-47-0" , "31506-32-8" ;
dbo:formula "C9H4F17NO2S" ;
dbo:inchi "InChI=1S/C9H4F17NO2S/c1-27-30(28,29)9(25,26)7(20,21)5(16,17)3(12,13)2(10,11)4(14,15)6(18,19)8(22,23)24/h27H,1H3" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyloctane-1-sulfonamide"@en ;
dbo:pubchem "3034468"^^xsd:int ;
dbo:smiles "CNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "SRMWNTGHXHOWBT-UHFFFAOYSA-N" ;
skos:altLabel "n-methylperfluor-n-octaansulfonamide (mepfosa)"@nl , "N-methylperfluoroctaansulfonamide"@nl , "n-methylperfluor-n-octaansulfonamide"@nl , "N-methyl perfluoroctaansulfonamide"@nl , "n-methylperfluoroctaan-1-sulfonamide (mepfosa)"@nl ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MePFOSA" , "MeFOSA" ;
skos:prefLabel "n-methyl perfluoroctaansulfonamide"@nl .
csc:JFALSRSLKYAFGM-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167047 ;
dbo:casNumber "14269-75-1" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U/i1-1" ;
dbo:iupacName "uranium-237"@en ;
dbo:pubchem "167047"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "JFALSRSLKYAFGM-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U237" ;
skos:prefLabel "uranium 237"@nl .
csc:MGSRCZKZVOBKFT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6989 ;
dbo:casNumber "89-83-8" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" ;
dbo:iupacName "5-methyl-2-propan-2-ylphenol"@en ;
dbo:pubchem "6989"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C(C)C)O" ;
dbp:inchikey "MGSRCZKZVOBKFT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6iC3ymcsl" ;
skos:prefLabel "6-isopropyl-m-cresol"@nl .
csc:LNEPOXFFQSENCJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3559 ;
dbo:casNumber "52-86-8" ;
dbo:formula "C21H23ClFNO2" ;
dbo:inchi "InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2" ;
dbo:iupacName "4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one"@en ;
dbo:pubchem "3559"^^xsd:int ;
dbo:smiles "C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F" ;
dbp:inchikey "LNEPOXFFQSENCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halprdl" ;
skos:prefLabel "haloperidol"@nl .
csc:VPZIYMMSJFWLSP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:129274 ;
dbo:casNumber "68011-66-5" ;
dbo:formula "C15H12N2O2" ;
dbo:inchi "InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)" ;
dbo:iupacName "8-hydroxybenzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "129274"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC(=C3)O" ;
dbp:inchikey "VPZIYMMSJFWLSP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxcbmzpne" ;
skos:prefLabel "2-hydroxy carbamazepine"@nl .
csc:YBQZXXMEJHZYMB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31222 ;
dbo:casNumber "38622-18-3" , "122-66-7" , "55299-18-8" ;
dbo:formula "C12H12N2" ;
dbo:inchi "InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H" ;
dbo:iupacName "1,2-di(phenyl)hydrazine"@en ;
dbo:pubchem "31222"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NNC2=CC=CC=C2" ;
dbp:inchikey "YBQZXXMEJHZYMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000113 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DFyhdzne" ;
skos:prefLabel "1,2-difenylhydrazine"@nl .
csc:WOWBFOBYOAGEEA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91732 ;
dbo:casNumber "80060-09-9" ;
dbo:formula "C23H32N2OS" ;
dbo:inchi "InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)" ;
dbo:iupacName "3-tert-butyl-1-[4-(phenoxy)-2,6-di(propan-2-yl)phenyl]thiourea"@en ;
dbo:pubchem "91732"^^xsd:int ;
dbo:smiles "CC(C)C1=CC(=CC(=C1NC(=NC(C)(C)C)S)C(C)C)OC2=CC=CC=C2" ;
dbp:inchikey "WOWBFOBYOAGEEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfturn" ;
skos:prefLabel "diafenthiuron"@nl .
csc:PWORFEDVDWBHSJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:85498 ;
dbo:casNumber "16584-00-2" ;
dbo:formula "C7H7N3" ;
dbo:inchi "InChI=1S/C7H7N3/c1-10-8-6-4-2-3-5-7(6)9-10/h2-5H,1H3" ;
dbo:iupacName "2-Methylbenzotriazole"@en ;
dbo:pubchem "85498"^^xsd:int ;
dbo:smiles "CN1N=C2C=CC=CC2=N1" ;
dbp:inchikey "PWORFEDVDWBHSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y2bztazl" ;
skos:prefLabel "2-methyl-2-benzotriazool"@nl .
csc:LQNUZADURLCDLV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7416 ;
dbo:casNumber "98-95-3" , "26969-40-4" ;
dbo:formula "C6H5NO2" ;
dbo:inchi "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "['Nitrobenzene', 'N-oxido-N-phenylhydroxylamine', 'N,N-dihydroxyaniline']"@en ;
dbo:pubchem "7416"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "LQNUZADURLCDLV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_98-95-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO2Ben" ;
skos:prefLabel "nitrobenzeen"@nl ;
vcs:vmmParameterId "218"^^xsd:int .
csc:KIGBUEKEZHTCDR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22095 ;
dbo:casNumber "5836-29-3" ;
dbo:formula "C19H16O3" ;
dbo:inchi "InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,21H,5,7,10H2" ;
dbo:iupacName "2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-4-one"@en ;
dbo:pubchem "22095"^^xsd:int ;
dbo:smiles "C1CC(C2=CC=CC=C2C1)C3=C(OC4=CC=CC=C4C3=O)O" ;
dbp:inchikey "KIGBUEKEZHTCDR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000145 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "coumttll" ;
skos:prefLabel "coumatetralyl"@nl .
csc:WSEQXVZVJXJVFP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2771 ;
dbo:casNumber "59729-33-8" ;
dbo:formula "C20H21FN2O" ;
dbo:inchi "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3" ;
dbo:iupacName "1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile"@en ;
dbo:pubchem "2771"^^xsd:int ;
dbo:smiles "CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F" ;
dbp:inchikey "WSEQXVZVJXJVFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000014 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "citlpm" ;
skos:prefLabel "citalopram"@nl .
csc:OOLBCHYXZDXLDS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38687 ;
dbo:casNumber "75045-49-7" , "40843-25-2" ;
dbo:formula "C15H12Cl2O4" ;
dbo:inchi "InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)" ;
dbo:iupacName "2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID"@en ;
dbo:pubchem "38687"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "OOLBCHYXZDXLDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcfp" ;
skos:prefLabel "diclofop"@nl .
csc:IQUPABOKLQSFBK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6947 ;
dbo:casNumber "88-75-5" ;
dbo:formula "C6H5NO3" ;
dbo:inchi "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H" ;
dbo:iupacName "['2-(dihydroxyamino)phenol', '2-Nitrophenol']"@en ;
dbo:pubchem "6947"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)[N+](=O)[O-])O" ;
dbp:inchikey "IQUPABOKLQSFBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000141 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2Fol" ;
skos:prefLabel "2-nitrofenol"@nl .
csc:AZQWKYJCGOJGHM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4650 ;
dbo:casNumber "106-51-4" , "54560-36-0" , "19052-63-2" , "51226-74-5" , "3225-29-4" ;
dbo:formula "C6H4O2" ;
dbo:inchi "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H" ;
dbo:iupacName "cyclohexa-2,5-diene-1,4-dione"@en ;
dbo:pubchem "4650"^^xsd:int ;
dbo:smiles "C1=CC(=O)C=CC1=O" ;
dbp:inchikey "AZQWKYJCGOJGHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinne" ;
skos:prefLabel "chinon"@nl .
csc:AVSXSVCZWQODGV-DPAQBDIFSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:439577 ;
dbo:casNumber "313-04-2" ;
dbo:formula "C27H44O" ;
dbo:inchi "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "439577"^^xsd:int ;
dbo:smiles "CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C" ;
dbp:inchikey "AVSXSVCZWQODGV-DPAQBDIFSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chol524Den3b" ;
skos:prefLabel "cholesta-5,24-dien-3-beta-ol"@nl .
csc:OAKJQQAXSVQMHS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:9321 ;
dbo:casNumber "75013-58-0" , "37836-27-4" , "31886-26-7" , "119775-10-9" , "634-62-8" , "302-01-2" ;
dbo:formula "H4N2" ;
dbo:inchi "InChI=1S/H4N2/c1-2/h1-2H2" ;
dbo:iupacName "Hydrazine"@en ;
dbo:pubchem "9321"^^xsd:int ;
dbo:smiles "NN" ;
dbp:inchikey "OAKJQQAXSVQMHS-UHFFFAOYSA-N" ;
skos:altLabel "hydrazine"@nl ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hydzne" ;
skos:prefLabel "hydrazine "@nl .
csc:HORNXRXVQWOLPJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7933 ;
dbo:casNumber "108-43-0" ;
dbo:formula "C6H5ClO" ;
dbo:inchi "InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H" ;
dbo:iupacName "3-Chlorophenol"@en ;
dbo:pubchem "7933"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)O" ;
dbp:inchikey "HORNXRXVQWOLPJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002770 ;
skos:exactMatch wise:CAS_108-43-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClFol" ;
skos:prefLabel "3-chloorfenol"@nl ;
vcs:vmmParameterId "357"^^xsd:int .
csc:NLBLNZDNOSSGPW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3034400 ;
dbo:casNumber "139598-16-6" , "113172-79-5" , "68928-80-3" ;
dbo:formula "C12H3Br7O" ;
dbo:inchi "InChI=1S/C12H3Br7O/c13-4-2-1-3-5(6(4)14)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3-dibromophenoxy)benzene"@en ;
dbo:pubchem "3034400"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "NLBLNZDNOSSGPW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_68928-80-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "heptabroomdifenylether"@nl ;
vcs:vmmParameterId "1460"^^xsd:int .
csc:VEDTXTNSFWUXGQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13081 ;
dbo:casNumber "786-19-6" ;
dbo:formula "C11H16ClO2PS3" ;
dbo:inchi "InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "(4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "13081"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSC1=CC=C(C=C1)Cl" ;
dbp:inchikey "VEDTXTNSFWUXGQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbfnton" ;
skos:prefLabel "carbofenothion"@nl .
csc:DEQZTKGFXNUBJL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7232 ;
dbo:casNumber "95-33-0" , "108251-59-8" , "51540-81-9" , "156014-54-9" ;
dbo:formula "C13H16N2S2" ;
dbo:inchi "InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2" ;
dbo:iupacName "N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine"@en ;
dbo:pubchem "7232"^^xsd:int ;
dbo:smiles "C1CCC(CC1)NSC2=NC3=CC=CC=C3S2" ;
dbp:inchikey "DEQZTKGFXNUBJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ccC6yAotobz" ;
skos:prefLabel "2-(cyclohexylaminothio)benzothiazool"@nl .
csc:HCTWZIFNBBCVGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:522524 ;
dbo:casNumber "7421-93-4" ;
dbo:formula "C12H8Cl6O" ;
dbo:inchi "InChI=1S/C12H8Cl6O/c13-8-5-3(2-19)1-4-6(5)9(14,12(8,17)18)11(16)7(4)10(8,11)15/h2-7H,1H2" ;
dbo:iupacName "3,4,5,6,6,7-hexachloropentacyclo[6.3.0.02,4.03,7.05,9]undecane-10-carbaldehyde"@en ;
dbo:pubchem "522524"^^xsd:int ;
dbo:smiles "C1C(C2C3C1C4C5(C2(C(C3(C45Cl)Cl)(Cl)Cl)Cl)Cl)C=O" ;
dbp:inchikey "HCTWZIFNBBCVGM-UHFFFAOYSA-N" ;
skos:altLabel "endrinaldehyde"@nl ;
skos:broader csc:CHEMONTID_0001549 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endAh" ;
skos:prefLabel "endrin aldehyde"@nl .
csc:GYHNNYVSQQEPJS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5360835 ;
dbo:casNumber "7440-55-3" , "15091-79-9" ;
dbo:formula "Ga" ;
dbo:inchi "InChI=1S/Ga" ;
dbo:iupacName "GALLIUM"@en ;
dbo:pubchem "5360835"^^xsd:int ;
dbo:smiles "[Ga]" ;
dbp:inchikey "GYHNNYVSQQEPJS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ga" ;
skos:prefLabel "gallium"@nl .
csc:PNDPGZBMCMUPRI-HVTJNCQCSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24855 ;
dbo:casNumber "10043-66-0" , "24267-56-9" ;
dbo:formula "I2" ;
dbo:inchi "InChI=1S/I2/c1-2/i1+4,2+4" ;
dbo:iupacName "Iodine-131"@en ;
dbo:pubchem "24855"^^xsd:int ;
dbo:smiles "II" ;
dbp:inchikey "PNDPGZBMCMUPRI-HVTJNCQCSA-N" ;
skos:broader csc:CHEMONTID_0000432 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I131" ;
skos:prefLabel "jodium 131"@nl .
csc:KDPAWGWELVVRCH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6227 ;
dbo:casNumber "79-08-3" , "418768-49-7" ;
dbo:formula "C2H3BrO2" ;
dbo:inchi "InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)" ;
dbo:iupacName "2-Bromoacetic acid"@en ;
dbo:pubchem "6227"^^xsd:int ;
dbo:smiles "C(C(=O)O)Br" ;
dbp:inchikey "KDPAWGWELVVRCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrHAc" ;
skos:prefLabel "broomazijnzuur"@nl .
csc:QWPPOHNGKGFGJK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24341 ;
dbo:casNumber "26190-92-1" , "14333-29-0" , "7790-92-3" ;
dbo:formula "ClHO" ;
dbo:inchi "InChI=1S/ClHO/c1-2/h2H" ;
dbo:iupacName "HYPOCHLOROUS ACID"@en ;
dbo:pubchem "24341"^^xsd:int ;
dbo:smiles "OCl" ;
dbp:inchikey "QWPPOHNGKGFGJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001057 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HOCl" ;
skos:prefLabel "hypochloorzuur"@nl .
csc:KZAUOCCYDRDERY-UITAMQMPSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9595287 ;
dbo:casNumber "23135-22-0" ;
dbo:formula "C7H13N3O3S" ;
dbo:inchi "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" ;
dbo:iupacName "[(2-dimethylamino-1-methylsulfanyl-2-oxoethylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "9595287"^^xsd:int ;
dbo:smiles "CNC(=O)ON=C(C(=O)N(C)C)SC" ;
dbp:inchikey "KZAUOCCYDRDERY-UITAMQMPSA-N" ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oaml" ;
skos:prefLabel "oxamyl"@nl .
csc:NOOLISFMXDJSKH-KXUCPTDWSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16666 ;
dbo:casNumber "2216-51-5" , "89-78-1" , "98167-53-4" ;
dbo:formula "C10H20O" ;
dbo:inchi "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1" ;
dbo:iupacName "(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol"@en ;
dbo:pubchem "16666"^^xsd:int ;
dbo:smiles "CC1CCC(C(C1)O)C(C)C" ;
dbp:inchikey "NOOLISFMXDJSKH-KXUCPTDWSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mentl" ;
skos:prefLabel "menthol"@nl .
csc:DSAJWYNOEDNPEQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5355457 ;
dbo:casNumber "7440-39-3" ;
dbo:formula "Ba" ;
dbo:inchi "InChI=1S/Ba" ;
dbo:iupacName "BARIUM"@en ;
dbo:pubchem "5355457"^^xsd:int ;
dbo:smiles "[Ba]" ;
dbp:inchikey "DSAJWYNOEDNPEQ-UHFFFAOYSA-N" ;
skos:altLabel "barium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000428 ;
skos:exactMatch wise:CAS_7440-39-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ba" ;
skos:prefLabel "barium"@nl ;
vcs:vmmParameterId "138"^^xsd:int , "139"^^xsd:int , "1922"^^xsd:int , "1990"^^xsd:int , "140"^^xsd:int .
csc:VQGHOUODWALEFC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13887 ;
dbo:casNumber "1008-89-5" , "94928-86-6" ;
dbo:formula "C11H9N" ;
dbo:inchi "InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H" ;
dbo:iupacName "2-PHENYLPYRIDINE"@en ;
dbo:pubchem "13887"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=N2" ;
dbp:inchikey "VQGHOUODWALEFC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002317 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Fyprdne" ;
skos:prefLabel "2-fenylpyridine"@nl .
csc:JLQUFIHWVLZVTJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:41384 ;
dbo:casNumber "73468-61-8" , "55285-14-8" ;
dbo:formula "C20H32N2O3S" ;
dbo:inchi "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" ;
dbo:iupacName "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate"@en ;
dbo:pubchem "41384"^^xsd:int ;
dbo:smiles "CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" ;
dbp:inchikey "JLQUFIHWVLZVTJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbsfn" ;
skos:prefLabel "carbosulfan"@nl .
csc:FIPWRIJSWJWJAI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5794 ;
dbo:casNumber "12750-92-4" , "51-03-6" , "63993-73-7" ;
dbo:formula "C19H30O5" ;
dbo:inchi "InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3" ;
dbo:iupacName "5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole"@en ;
dbo:pubchem "5794"^^xsd:int ;
dbo:smiles "CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2" ;
dbp:inchikey "FIPWRIJSWJWJAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "piprnbO" ;
skos:prefLabel "piperonyl-butoxide"@nl .
csc:YPKBVWZHVTZSPU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26660 ;
dbo:casNumber "14383-60-9" ;
dbo:formula "C11H15NO" ;
dbo:inchi "InChI=1S/C11H15NO/c1-9(12-10(2)13)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)" ;
dbo:iupacName "N-(1-phenylpropan-2-yl)acetamide"@en ;
dbo:pubchem "26660"^^xsd:int ;
dbo:smiles "CC(CC1=CC=CC=C1)NC(=O)C" ;
dbp:inchikey "YPKBVWZHVTZSPU-UHFFFAOYSA-N" ;
skos:altLabel "N-(alfa-methylfenethyl) acetamide"@nl ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaC1yFC2yAd" ;
skos:prefLabel "n-(alfa-methylfenethyl) acetamide"@nl .
csc:VILGDADBAQFRJE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77344 ;
dbo:casNumber "3741-80-8" ;
dbo:formula "C18H17N3S4" ;
dbo:inchi "InChI=1S/C18H17N3S4/c1-18(2,3)21(24-16-19-12-8-4-6-10-14(12)22-16)25-17-20-13-9-5-7-11-15(13)23-17/h4-11H,1-3H3" ;
dbo:iupacName "N,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine"@en ;
dbo:pubchem "77344"^^xsd:int ;
dbo:smiles "CC(C)(C)N(SC1=NC2=CC=CC=C2S1)SC3=NC4=CC=CC=C4S3" ;
dbp:inchikey "VILGDADBAQFRJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2bztazsfAd" ;
skos:prefLabel "2-benzothiazolsulfonamide"@nl .
csc:INQOMBQAUSQDDS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6328 ;
dbo:casNumber "147937-07-3" , "74-88-4" ;
dbo:formula "CH3I" ;
dbo:inchi "InChI=1S/CH3I/c1-2/h1H3" ;
dbo:iupacName "Iodomethane"@en ;
dbo:pubchem "6328"^^xsd:int ;
dbo:smiles "CI" ;
dbp:inchikey "INQOMBQAUSQDDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "IC1a" ;
skos:prefLabel "joodmethaan"@nl .
csc:YRRKLBAKDXSTNC-WEVVVXLNSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9570093 ;
dbo:casNumber "60005-95-0" , "1646-88-4" ;
dbo:formula "C7H14N2O4S" ;
dbo:inchi "InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+" ;
dbo:iupacName "[(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "9570093"^^xsd:int ;
dbo:smiles "CC(C)(C=NOC(=O)NC)S(=O)(=O)C" ;
dbp:inchikey "YRRKLBAKDXSTNC-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alDcsfn" ;
skos:prefLabel "aldicarbsulfon"@nl .
csc:RWNUSVWFHDHRCJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:21210 ;
dbo:casNumber "5131-66-8" ;
dbo:formula "C7H16O2" ;
dbo:inchi "InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3" ;
dbo:iupacName "1-Butoxypropan-2-ol"@en ;
dbo:pubchem "21210"^^xsd:int ;
dbo:smiles "CCCCOCC(C)O" ;
dbp:inchikey "RWNUSVWFHDHRCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C4ox2C3ol" ;
skos:prefLabel "1-butoxy-2-propanol"@nl .
csc:BGQMOFGZRJUORO-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74745 ;
dbo:casNumber "65129-03-5" , "65129-05-7" , "1941-30-6" ;
dbo:formula "C12H28BrN" ;
dbo:inchi "InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetrapropylazanium bromide"@en ;
dbo:pubchem "74745"^^xsd:int ;
dbo:smiles "CCC[N+](CCC)(CCC)CCC.[Br-]" ;
dbp:inchikey "BGQMOFGZRJUORO-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C3yNH3Br" ;
skos:prefLabel "tetrapropylammoniumbromide"@nl .
csc:ZGNITFSDLCMLGI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11193251 ;
dbo:casNumber "272451-65-7" ;
dbo:formula "C23H22F7IN2O4S" ;
dbo:inchi "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" ;
dbo:iupacName "1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide"@en ;
dbo:pubchem "11193251"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" ;
dbp:inchikey "ZGNITFSDLCMLGI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flubDad" ;
skos:prefLabel "flubendiamide"@nl .
csc:BBDKZWKEPDTENS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7499 ;
dbo:casNumber "92619-43-7" , "100-40-3" ;
dbo:formula "C8H12" ;
dbo:inchi "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2" ;
dbo:iupacName "4-Ethenylcyclohexene"@en ;
dbo:pubchem "7499"^^xsd:int ;
dbo:smiles "C=CC1CCC=CC1" ;
dbp:inchikey "BBDKZWKEPDTENS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4vn1ccC6e" ;
skos:prefLabel "4-vinyl-1-cyclohexeen"@nl .
csc:PGMYKACGEOXYJE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12348 ;
dbo:casNumber "628-63-7" ;
dbo:formula "C7H14O2" ;
dbo:inchi "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" ;
dbo:iupacName "Pentyl acetate"@en ;
dbo:pubchem "12348"^^xsd:int ;
dbo:smiles "CCCCCOC(=O)C" ;
dbp:inchikey "PGMYKACGEOXYJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amactt" ;
skos:prefLabel "amylacetaat"@nl .
csc:KWYUFKZDYYNOTN-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14797 ;
dbo:casNumber "71769-53-4" , "1310-58-3" , "29857-72-5" ;
dbo:formula "HKO" ;
dbo:inchi "InChI=1S/K.H2O/h;1H2/q+1;/p-1" ;
dbo:iupacName "POTASSIUM HYDROXIDE"@en ;
dbo:pubchem "14797"^^xsd:int ;
dbo:smiles "[OH-].[K+]" ;
dbp:inchikey "KWYUFKZDYYNOTN-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000638 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KOH" ;
skos:prefLabel "kaliumhydroxide"@nl .
csc:RLQJEEJISHYWON-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9834513 ;
dbo:casNumber "158062-67-0" ;
dbo:formula "C9H6F3N3O" ;
dbo:inchi "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" ;
dbo:iupacName "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide"@en ;
dbo:pubchem "9834513"^^xsd:int ;
dbo:smiles "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N" ;
dbp:inchikey "RLQJEEJISHYWON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "floncmd" ;
skos:prefLabel "flonicamid"@nl .
csc:BDAGIHXWWSANSR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:284 ;
dbo:casNumber "82069-14-5" , "64-18-6" , "7056-83-9" , "8006-93-7" , "15907-03-6" ;
dbo:formula "CH2O2" ;
dbo:inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" ;
dbo:iupacName "formic acid"@en ;
dbo:pubchem "284"^^xsd:int ;
dbo:smiles "C(=O)O" ;
dbp:inchikey "BDAGIHXWWSANSR-UHFFFAOYSA-N" ;
skos:altLabel "mierenzuur "@nl , "methaanzuur"@nl ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1azr" ;
skos:prefLabel "mierenzuur"@nl .
csc:HJIQVKXMQOLFFS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3048787 ;
dbo:casNumber "1330-43-4" , "63989-70-8" ;
dbo:formula "B4H14Na2O14" ;
dbo:inchi "InChI=1S/4B.2Na.7H2O.7O/h;;;;;;7*1H2;;;;;;;/q4*+3;2*+1;;;;;;;;7*-2" ;
dbo:iupacName "disodium; boron(+3) cation; oxygen(-2) anion; heptahydrate"@en ;
dbo:pubchem "3048787"^^xsd:int ;
dbo:smiles "[B+3].[B+3].[B+3].[B+3].O.O.O.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Na+]" ;
dbp:inchikey "HJIQVKXMQOLFFS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000534 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na2B4O7" ;
skos:prefLabel "dinatriumtetraboraat"@nl .
csc:WATWJIUSRGPENY-BKFZFHPZSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335314 ;
dbo:casNumber "13968-50-8" ;
dbo:formula "Sb" ;
dbo:inchi "InChI=1S/Sb/i1+5" ;
dbo:iupacName "antimony-127"@en ;
dbo:pubchem "6335314"^^xsd:int ;
dbo:smiles "[Sb]" ;
dbp:inchikey "WATWJIUSRGPENY-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb127" ;
skos:prefLabel "antimoon 127"@nl .
csc:IFCBMPOMNSORDG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21963 ;
dbo:casNumber "5737-13-3" ;
dbo:formula "C15H8O" ;
dbo:inchi "InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H" ;
dbo:iupacName "tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one"@en ;
dbo:pubchem "21963"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C(=O)C4=CC=CC(=C43)C=C2" ;
dbp:inchikey "IFCBMPOMNSORDG-UHFFFAOYSA-N" ;
skos:altLabel "4h-cyclopenta[d,e,f]fenantreen-4-on"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4HccPedefFen" ;
skos:prefLabel "4H-cyclopenta[d,e,f]fenantreen-4-on"@nl .
cosc:water rdf:type skos:Collection ;
skos:inScheme vlcs:chemische_stof ;
skos:member csc:HFZWRUODUSTPEG-UHFFFAOYSA-N , csc:BBEAQIROQSPTKN-UHFFFAOYSA-N , csc:SXQBHARYMNFBPS-UHFFFAOYSA-N , csc:BRLQWZUYTZBJKN-UHFFFAOYSA-N , csc:QMHAHUAQAJVBIW-UHFFFAOYSA-N , csc:KCXMKQUNVWSEMD-UHFFFAOYSA-N , csc:BZLVMXJERCGZMT-UHFFFAOYSA-N , csc:NWWZPOKUUAIXIW-DHZHZOJOSA-N , csc:HXGDTGSAIMULJN-UHFFFAOYSA-N , csc:MQXQVCLAUDMCEF-CWLIKTDRSA-N , csc:WEBQKRLKWNIYKK-UHFFFAOYSA-N , csc:NLZUEZXRPGMBCV-UHFFFAOYSA-N , csc:WLFDQEVORAMCIM-UHFFFAOYSA-N , csc:IRIAEXORFWYRCZ-UHFFFAOYSA-N , csc:PBKONEOXTCPAFI-UHFFFAOYSA-N , csc:CJJOSEISRRTUQB-UHFFFAOYSA-N , csc:BVKZGUZCCUSVTD-UHFFFAOYSA-M , csc:CAHQGWAXKLQREW-UHFFFAOYSA-N , csc:MYSWGUAQZAJSOK-UHFFFAOYSA-N , csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N , csc:YACLQRRMGMJLJV-UHFFFAOYSA-N , csc:VEZCTZWLJYWARH-UHFFFAOYSA-N , csc:ISPYQTSUDJAMAB-UHFFFAOYSA-N , csc:PHNUZKMIPFFYSO-UHFFFAOYSA-N , csc:SUSRORUBZHMPCO-UHFFFAOYSA-N , csc:MXWJVTOOROXGIU-UHFFFAOYSA-N , csc:ATBAMAFKBVZNFJ-UHFFFAOYSA-N , csc:GRPRVIYRYGLIJU-UHFFFAOYSA-N , csc:XDDAORKBJWWYJS-UHFFFAOYSA-N , csc:IBSQPLPBRSHTTG-UHFFFAOYSA-N , csc:UQRLKWGPEVNVHT-UHFFFAOYSA-N , csc:ISAVYTVYFVQUDY-UHFFFAOYSA-N , csc:RQVYBGPQFYCBGX-UHFFFAOYSA-N , csc:OVSKIKFHRZPJSS-UHFFFAOYSA-N , csc:WSFSSNUMVMOOMR-UHFFFAOYSA-N , csc:PBGKNXWGYQPUJK-UHFFFAOYSA-N , csc:LRWHHSXTGZSMSN-UHFFFAOYSA-N , csc:JNTHRSHGARDABO-UHFFFAOYSA-N , csc:OCHOKXCPKDPNQU-UHFFFAOYSA-N , csc:ZCJPOPBZHLUFHF-UHFFFAOYSA-N , csc:LLYXJBROWQDVMI-UHFFFAOYSA-N , csc:NPYPAHLBTDXSSS-UHFFFAOYSA-N , csc:HRPVXLWXLXDGHG-UHFFFAOYSA-N , csc:KCXVZYZYPLLWCC-UHFFFAOYSA-N , csc:WSLDOOZREJYCGB-UHFFFAOYSA-N , csc:ZLIBICFPKPWGIZ-UHFFFAOYSA-N , csc:CRQQGFGUEAVUIL-UHFFFAOYSA-N , csc:NSKIRYMHNFTRLR-UHFFFAOYSA-N , csc:FOXFZRUHNHCZPX-UHFFFAOYSA-N , csc:LFULEKSKNZEWOE-UHFFFAOYSA-N , csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N , csc:XUIMIQQOPSSXEZ-UHFFFAOYSA-N , csc:ZQEIXNIJLIKNTD-UHFFFAOYSA-N , csc:UOORRWUZONOOLO-OWOJBTEDSA-N , csc:SNGREZUHAYWORS-UHFFFAOYSA-N , csc:BIXZHMJUSMUDOQ-UHFFFAOYSA-N , csc:HOLHYSJJBXSLMV-UHFFFAOYSA-N , csc:BIWJNBZANLAXMG-UHFFFAOYSA-N , csc:VHHHONWQHHHLTI-UHFFFAOYSA-N , csc:BVKZGUZCCUSVTD-UHFFFAOYSA-L , csc:YXFVVABEGXRONW-UHFFFAOYSA-N , csc:RMPWIIKNWPVWNG-UHFFFAOYSA-N , csc:CTSLUCNDVMMDHG-UHFFFAOYSA-N , csc:UOAMTSKGCBMZTC-UHFFFAOYSA-N , csc:SBMIVUVRFPGOEB-UHFFFAOYSA-N , csc:XEEYBQQBJWHFJM-UHFFFAOYSA-N , csc:CHIFOSRWCNZCFN-UHFFFAOYSA-N , csc:AYOHIQLKSOJJQH-UHFFFAOYSA-N , csc:WUOBERCRSABHOT-UHFFFAOYSA-N , csc:VJYFKVYYMZPMAB-UHFFFAOYSA-N , csc:VEXZGXHMUGYJMC-UHFFFAOYSA-M , csc:FAXIJTUDSBIMHY-UHFFFAOYSA-N , csc:FALCMQXTWHPRIH-UHFFFAOYSA-N , csc:YNQLUTRBYVCPMQ-UHFFFAOYSA-N , csc:HCHKCACWOHOZIP-UHFFFAOYSA-N , csc:WYEHFWKAOXOVJD-UHFFFAOYSA-N , csc:LSKGFBJLYWXIOF-UHFFFAOYSA-N , csc:SXDBWCPKPHAZSM-UHFFFAOYSA-M , csc:JXCGFZXSOMJFOA-UHFFFAOYSA-N , csc:JLYFCTQDENRSOL-UHFFFAOYSA-N , csc:QWVGKYWNOKOFNN-UHFFFAOYSA-N , csc:RZXIRSKYBISPGF-UHFFFAOYSA-N , csc:FEWPCPCEGBPTAL-UHFFFAOYSA-N , csc:DEWLEGDTCGBNGU-UHFFFAOYSA-N , csc:ISEUFVQQFVOBCY-UHFFFAOYSA-N , csc:PAAZPARNPHGIKF-UHFFFAOYSA-N , csc:AAEVYOVXGOFMJO-UHFFFAOYSA-N , csc:JSFITYFUKSFPBZ-UHFFFAOYSA-N , csc:YBGZDTIWKVFICR-JLHYYAGUSA-N , csc:SXZSFWHOSHAKMN-UHFFFAOYSA-N , csc:JLYXXMFPNIAWKQ-UHFFFAOYSA-N , csc:IAKOZHOLGAGEJT-UHFFFAOYSA-N , csc:HSQFVBWFPBKHEB-UHFFFAOYSA-N , csc:ZOXJGFHDIHLPTG-UHFFFAOYSA-N , csc:JEYJJJXOFWNEHN-UHFFFAOYSA-N , csc:OSOUNOBYRMOXQQ-UHFFFAOYSA-N , csc:DOFZAZXDOSGAJZ-UHFFFAOYSA-N , csc:SWFNPENEBHAHEB-UHFFFAOYSA-N , csc:MCWXGJITAZMZEV-UHFFFAOYSA-N , csc:MZZBPDKVEFVLFF-UHFFFAOYSA-N , csc:RLLPVAHGXHCWKJ-HKUYNNGSSA-N , csc:SBPBAQFWLVIOKP-UHFFFAOYSA-N , csc:OWZPCEFYPSAJFR-UHFFFAOYSA-N , csc:STJLVHWMYQXCPB-UHFFFAOYSA-N , csc:JOOMJVFZQRQWKR-UHFFFAOYSA-N , csc:ZXVONLUNISGICL-UHFFFAOYSA-N , csc:WRPIRSINYZBGPK-UHFFFAOYSA-N , csc:KMAQZIILEGKYQZ-UHFFFAOYSA-N , csc:MQTOSJVFKKJCRP-OHJWJPDZSA-N , csc:HUWXDEQWWKGHRV-UHFFFAOYSA-N , csc:YTWXDQVNPCIEOX-UHFFFAOYSA-N , csc:YIVXMZJTEQBPQO-UHFFFAOYSA-N , csc:STEPQTYSZVCJPV-UHFFFAOYSA-N , csc:GVYLCNUFSHDAAW-UHFFFAOYSA-N , csc:AMRQXHFXNZFDCH-VIFPVBQESA-N , csc:FFGPTBGBLSHEPO-UHFFFAOYSA-N , csc:UBOXGVDOUJQMTN-UHFFFAOYSA-N , csc:SCYULBFZEHDVBN-UHFFFAOYSA-N , csc:DSAJWYNOEDNPEQ-UHFFFAOYSA-N , csc:XCSGPAVHZFQHGE-UHFFFAOYSA-N , csc:ODCWYMIRDDJXKW-UHFFFAOYSA-N , csc:RQVGAIADHNPSME-UHFFFAOYSA-N , csc:MWPLVEDNUUSJAV-UHFFFAOYSA-N , csc:AUHZEENZYGFFBQ-UHFFFAOYSA-N , csc:YWTYJOPNNQFBPC-UHFFFAOYSA-N , csc:XMTQQYYKAHVGBJ-UHFFFAOYSA-N , csc:NIQCNGHVCWTJSM-UHFFFAOYSA-N , csc:JHJOOSLFWRRSGU-UHFFFAOYSA-N , csc:ZAIDIVBQUMFXEC-UHFFFAOYSA-N , csc:NHNBFGGVMKEFGY-UHFFFAOYSA-N , csc:FSPZPQQWDODWAU-UHFFFAOYSA-N , csc:OCKPCBLVNKHBMX-UHFFFAOYSA-N , csc:YMWUJEATGCHHMB-UHFFFAOYSA-N , csc:PNVJTZOFSHSLTO-UHFFFAOYSA-N , csc:WIDHRBRBACOVOY-UHFFFAOYSA-N , csc:LHJGJYXLEPZJPM-UHFFFAOYSA-N , csc:ZJMWRROPUADPEA-UHFFFAOYSA-N , csc:AMFGTOFWMRQMEM-UHFFFAOYSA-N , csc:XTEGARKTQYYJKE-UHFFFAOYSA-M , csc:FMMWHPNWAFZXNH-UHFFFAOYSA-N , csc:VEORPZCZECFIRK-UHFFFAOYSA-N , csc:RYYVLZVUVIJVGH-UHFFFAOYSA-N , csc:OYPRJOBELJOOCE-UHFFFAOYSA-N , csc:CWRYPZZKDGJXCA-UHFFFAOYSA-N , csc:PUYXTUJWRLOUCW-UHFFFAOYSA-N , csc:DEIGXXQKDWULML-UHFFFAOYSA-N , csc:NLYNUTMZTCLNOO-UHFFFAOYSA-N , csc:PXGOKWXKJXAPGV-UHFFFAOYSA-N , csc:LCCNCVORNKJIRZ-UHFFFAOYSA-N , csc:KNKRKFALVUDBJE-UHFFFAOYSA-N , csc:QGZKDVFQNNGYKY-UHFFFAOYSA-O , csc:WCLNVRQZUKYVAI-UHFFFAOYSA-N , csc:RELMFMZEBKVZJC-UHFFFAOYSA-N , csc:DSRNRYQBBJQVCW-UHFFFAOYSA-N , csc:CTQNGGLPUBDAKN-UHFFFAOYSA-N , csc:GVEPBJHOBDJJJI-UHFFFAOYSA-N , csc:DCOPUUMXTXDBNB-UHFFFAOYSA-N , csc:MGWAVDBGNNKXQV-UHFFFAOYSA-N , csc:XTAHLACQOVXINQ-UHFFFAOYSA-N , csc:ULGZDMOVFRHVEP-RWJQBGPGSA-N , csc:LGXVIGDEPROXKC-UHFFFAOYSA-N , csc:KPHWPUGNDIVLNH-UHFFFAOYSA-M , csc:HPNMFZURTQLUMO-UHFFFAOYSA-N , csc:MEBQXILRKZHVCX-UHFFFAOYSA-N , csc:NTDQQZYCCIDJRK-UHFFFAOYSA-N , csc:QVLAWKAXOMEXPM-UHFFFAOYSA-N , csc:HORNXRXVQWOLPJ-UHFFFAOYSA-N , csc:GATVIKZLVQHOMN-UHFFFAOYSA-N , csc:JWBOIMRXGHLCPP-UHFFFAOYSA-N , csc:FJBFPHVGVWTDIP-UHFFFAOYSA-N , csc:RFFLAFLAYFXFSW-UHFFFAOYSA-N , csc:FLKPEMZONWLCSK-UHFFFAOYSA-N , csc:ZOKXTWBITQBERF-UHFFFAOYSA-N , csc:TXVHTIQJNYSSKO-UHFFFAOYSA-N , csc:AGOYDEPGAOXOCK-KCBOHYOISA-N , csc:VUNCWTMEJYMOOR-UHFFFAOYSA-N , csc:QWBBPBRQALCEIZ-UHFFFAOYSA-N , csc:CYTYCFOTNPOANT-UHFFFAOYSA-N , csc:XYBSIYMGXVUVGY-UHFFFAOYSA-N , csc:CKAPSXZOOQJIBF-UHFFFAOYSA-N , csc:XSTXAVWGXDQKEL-UHFFFAOYSA-N , csc:HOXINJBQVZWYGZ-UHFFFAOYSA-N , csc:RHIROFAGUQOFLU-UHFFFAOYSA-N , csc:LDVVMCZRFWMZSG-UHFFFAOYSA-N , csc:LKPLKUMXSAEKID-UHFFFAOYSA-N , csc:IANUJLZYFUDJIH-UHFFFAOYSA-N , csc:FKNQFGJONOIPTF-UHFFFAOYSA-N , csc:BXNANOICGRISHX-UHFFFAOYSA-N , csc:HFACYLZERDEVSX-UHFFFAOYSA-N , csc:OEBRKCOSUFCWJD-UHFFFAOYSA-N , csc:QUIMTLZDMCNYGY-UHFFFAOYSA-N , csc:YFBPRJGDJKVWAH-UHFFFAOYSA-N , csc:WBEJYOJJBDISQU-UHFFFAOYSA-N , csc:JLKIGFTWXXRPMT-UHFFFAOYSA-N , csc:LHRCREOYAASXPZ-UHFFFAOYSA-N , csc:ZSDSQXJSNMTJDA-UHFFFAOYSA-N , csc:LAHWLEDBADHJGA-UHFFFAOYSA-N , csc:MQHNKCZKNAJROC-UHFFFAOYSA-N , csc:CPELXLSAUQHCOX-UHFFFAOYSA-M , csc:RWGFKTVRMDUZSP-UHFFFAOYSA-N , csc:RRVIAQKBTUQODI-UHFFFAOYSA-N , csc:LELOWRISYMNNSU-UHFFFAOYSA-N , csc:HFPZCAJZSCWRBC-UHFFFAOYSA-N , csc:QRUDEWIWKLJBPS-UHFFFAOYSA-N , csc:NQLVQOSNDJXLKG-UHFFFAOYSA-N , csc:WHXSMMKQMYFTQS-UHFFFAOYSA-N , csc:HYJSGOXICXYZGS-UHFFFAOYSA-N , csc:VYZAMTAEIAYCRO-UHFFFAOYSA-N , csc:MVPPADPHJFYWMZ-UHFFFAOYSA-N , csc:NKTOLZVEWDHZMU-UHFFFAOYSA-N , csc:ZEOVXNVKXIPWMS-UHFFFAOYSA-N , csc:HDHLIWCXDDZUFH-UHFFFAOYSA-N , csc:CHNUNORXWHYHNE-UHFFFAOYSA-N , csc:IWEDIXLBFLAXBO-UHFFFAOYSA-N , csc:MMOXZBCLCQITDF-UHFFFAOYSA-N , csc:REEQLXCGVXDJSQ-UHFFFAOYSA-N , csc:PGOOBECODWQEAB-UHFFFAOYSA-N , csc:KVGLBTYUCJYMND-UHFFFAOYSA-N , csc:IVENSCMCQBJAKW-UHFFFAOYSA-N , csc:NXXYKOUNUYWIHA-UHFFFAOYSA-N , csc:RWNKSTSCBHKHTB-UHFFFAOYSA-N , csc:OGBQILNBLMPPDP-UHFFFAOYSA-N , csc:CEOCDNVZRAIOQZ-UHFFFAOYSA-N , csc:LEONUFNNVUYDNQ-UHFFFAOYSA-N , csc:IRCMYGHHKLLGHV-UHFFFAOYSA-N , csc:JTPNRXUCIXHOKM-UHFFFAOYSA-N , csc:OSDWBNJEKMUWAV-UHFFFAOYSA-N , csc:JHSPCUHPSIUQRB-UHFFFAOYSA-N , csc:BFCFYVKQTRLZHA-UHFFFAOYSA-N , csc:JPOXNPPZZKNXOV-UHFFFAOYSA-N , csc:CAWXEEYDBZRFPE-UHFFFAOYSA-N , csc:WBHQEUPUMONIKF-UHFFFAOYSA-N , csc:SZIFAVKTNFCBPC-UHFFFAOYSA-N , csc:JOPOVCBBYLSVDA-UHFFFAOYSA-N , csc:CZGCEKJOLUNIFY-UHFFFAOYSA-N , csc:RTHCYVBBDHJXIQ-UHFFFAOYSA-N , csc:RNFNDJAIBTYOQL-UHFFFAOYSA-N , csc:BYBLEWFAAKGYCD-UHFFFAOYSA-N , csc:VOXZDWNPVJITMN-ZBRFXRBCSA-N , csc:UOORRWUZONOOLO-UPHRSURJSA-N , csc:ZMYFCFLJBGAQRS-DLBZAZTESA-N , csc:GZUXJHMPEANEGY-UHFFFAOYSA-N , csc:HCRWJJJUKUVORR-UHFFFAOYSA-N , csc:QBYJBZPUGVGKQQ-SEIHLVFNSA-N , csc:XCSNRORTQRKCHB-UHFFFAOYSA-N , csc:WNTGYJSOUMFZEP-UHFFFAOYSA-N , csc:LCXMEXLGMKFLQO-UHFFFAOYSA-N , csc:LMKQNTMFZLAJDV-UHFFFAOYSA-N , csc:UPMXNNIRAGDFEH-UHFFFAOYSA-N , csc:PNVNVHUZROJLTJ-UHFFFAOYSA-N , csc:DDBMQDADIHOWIC-UHFFFAOYSA-N , csc:CMVQZRLQEOAYSW-UHFFFAOYSA-N , csc:RZKKOBGFCAHLCZ-UHFFFAOYSA-N , csc:AZXHAWRMEPZSSV-UHFFFAOYSA-N , csc:PYUSJFJVDVSXIU-UHFFFAOYSA-N , csc:UCNVFOCBFJOQAL-UHFFFAOYSA-N , csc:NFMIMWNQWAWNDW-UHFFFAOYSA-N , csc:WABPQHHGFIMREM-UHFFFAOYSA-N , csc:ZLSWBLPERHFHIS-UHFFFAOYSA-N , csc:WYKYKTKDBLFHCY-UHFFFAOYSA-N , csc:VZGDMQKNWNREIO-UHFFFAOYSA-N , csc:BFPYWIDHMRZLRN-SLHNCBLASA-N , csc:IEDVJHCEMCRBQM-UHFFFAOYSA-N , csc:NEHMKBQYUWJMIP-UHFFFAOYSA-N , csc:WKBPZYKAUNRMKP-UHFFFAOYSA-N , csc:RHPUJHQBPORFGV-UHFFFAOYSA-N , csc:IOVCWXUNBOPUCH-UHFFFAOYSA-M , csc:PNPCRKVUWYDDST-UHFFFAOYSA-N , csc:MWBPRDONLNQCFV-UHFFFAOYSA-N , csc:YTZKOQUCBOVLHL-UHFFFAOYSA-N , csc:JFALSRSLKYAFGM-UHFFFAOYSA-N , csc:CFXQEHVMCRXUSD-UHFFFAOYSA-N , csc:MGRVRXRGTBOSHW-UHFFFAOYSA-N , csc:WVQBLGZPHOPPFO-UHFFFAOYSA-N , csc:XKEFYDZQGKAQCN-UHFFFAOYSA-N , csc:XKJMBINCVNINCA-UHFFFAOYSA-N , csc:NNKVPIKMPCQWCG-UHFFFAOYSA-N , csc:ZOMSMJKLGFBRBS-UHFFFAOYSA-N , csc:DGLIBALSRMUQDD-UHFFFAOYSA-N , csc:RQKFYFNZSHWXAW-UHFFFAOYSA-N , csc:TWFZGCMQGLPBSX-UHFFFAOYSA-N , csc:BZHJMEDXRYGGRV-UHFFFAOYSA-N , csc:XGCHAIDDPMFRLJ-UHFFFAOYSA-N , csc:RYGMFSIKBFXOCR-UHFFFAOYSA-N , csc:AFCAKJKUYFLYFK-UHFFFAOYSA-N , csc:BQCADISMDOOEFD-UHFFFAOYSA-N , csc:SMDHCQAYESWHAE-UHFFFAOYSA-N , csc:WWGQHTJIFOQAOC-UHFFFAOYSA-N , csc:FMWLUWPQPKEARP-UHFFFAOYSA-N , csc:AVYGCQXNNJPXSS-UHFFFAOYSA-N , csc:QBYJBZPUGVGKQQ-UHFFFAOYSA-N , csc:SDYWXFYBZPNOFX-UHFFFAOYSA-N , csc:JDMFXJULNGEPOI-UHFFFAOYSA-N , csc:PWHULOQIROXLJO-UHFFFAOYSA-N , csc:QNBTYORWCCMPQP-JXAWBTAJSA-N , csc:BZTYNSQSZHARAZ-UHFFFAOYSA-N , csc:HRBKVYFZANMGRE-UHFFFAOYSA-N , csc:CVUGPAFCQJIYDT-UHFFFAOYSA-N , csc:AKCRQHGQIJBRMN-UHFFFAOYSA-N , csc:KQCMTOWTPBNWDB-UHFFFAOYSA-N , csc:BUGBHKTXTAQXES-UHFFFAOYSA-N , csc:NDSBDLSWTGLNQA-UHFFFAOYSA-N , csc:ORYGKUIDIMIRNN-UHFFFAOYSA-N , csc:YOYAIZYFCNQIRF-UHFFFAOYSA-N , csc:PPBRXRYQALVLMV-UHFFFAOYSA-N , csc:FTOVXSOBNPWTSH-UHFFFAOYSA-N , csc:BJQHLKABXJIVAM-UHFFFAOYSA-N , csc:LHHGDZSESBACKH-UHFFFAOYSA-N , csc:BTJIUGUIPKRLHP-UHFFFAOYSA-N , csc:BMLIZLVNXIYGCK-UHFFFAOYSA-N , csc:LQNUZADURLCDLV-UHFFFAOYSA-N , csc:FOCAUTSVDIKZOP-UHFFFAOYSA-N , csc:RDYMFSUJUZBWLH-GDSHQCHSSA-N , csc:CIOAGBVUUVVLOB-UHFFFAOYSA-N , csc:BHWVLZJTVIYLIV-UHFFFAOYSA-N , csc:JXSJBGJIGXNWCI-UHFFFAOYSA-N , csc:YNPNZTXNASCQKK-UHFFFAOYSA-N , csc:OEJNXTAZZBRGDN-UHFFFAOYSA-N , csc:LVYBAQIVPKCOEE-UHFFFAOYSA-N , csc:CFKMVGJGLGKFKI-UHFFFAOYSA-N , csc:DXBHBZVCASKNBY-UHFFFAOYSA-N , csc:OAICVXFJPJFONN-UHFFFAOYSA-N , csc:FSAVDKDHPDSCTO-WQLSENKSSA-N , csc:ZPQOPVIELGIULI-UHFFFAOYSA-N , csc:SQFLFRQWPBEDHM-UHFFFAOYSA-N , csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N , csc:ODLMAHJVESYWTB-UHFFFAOYSA-N , csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N , csc:FZXISNSWEXTPMF-UHFFFAOYSA-N , csc:IVSZLXZYQVIEFR-UHFFFAOYSA-N , csc:YCOXTKKNXUZSKD-UHFFFAOYSA-N , csc:NLBLNZDNOSSGPW-UHFFFAOYSA-N , csc:UQMGJOKDKOLIDP-UHFFFAOYSA-N , csc:TUAMRELNJMMDMT-UHFFFAOYSA-N , csc:GYFAGKUZYNFMBN-UHFFFAOYSA-N , csc:ARERIMFZYPFJAV-UHFFFAOYSA-N , csc:RLBIQVVOMOPOHC-UHFFFAOYSA-N , csc:STCOOQWBFONSKY-UHFFFAOYSA-N , csc:QARVLSVVCXYDNA-UHFFFAOYSA-N , csc:WDMKCPIVJOGHBF-UHFFFAOYSA-N , csc:CMWTZPSULFXXJA-UHFFFAOYSA-N , csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N , csc:ZUOUZKKEUPVFJK-UHFFFAOYSA-N , csc:TVLSRXXIMLFWEO-UHFFFAOYSA-N , csc:RPUMZMSNLZHIGZ-UHFFFAOYSA-N , csc:GEPDYQSQVLXLEU-AATRIKPKSA-N , csc:YFSUTJLHUFNCNZ-UHFFFAOYSA-N , csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N , csc:KHNYNFUTFKJLDD-UHFFFAOYSA-N , csc:NIHNNTQXNPWCJQ-UHFFFAOYSA-N , csc:WHPVYXDFIXRKLN-UHFFFAOYSA-N , csc:RTAQQCXQSZGOHL-UHFFFAOYSA-N , csc:IUBSYMUCCVWXPE-UHFFFAOYSA-N , csc:PXHVJJICTQNCMI-UHFFFAOYSA-N , csc:WXNZTHHGJRFXKQ-UHFFFAOYSA-N , csc:RDYMFSUJUZBWLH-VQDHCCOSSA-N , csc:GWHJZXXIDMPWGX-UHFFFAOYSA-N , csc:IPKKHRVROFYTEK-UHFFFAOYSA-N , csc:RIZMRRKBZQXFOY-UHFFFAOYSA-N , csc:HAORKNGNJCEJBX-UHFFFAOYSA-N , csc:PUIYMUZLKQOUOZ-UHFFFAOYSA-N , csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N , csc:NYQDCVLCJXRDSK-UHFFFAOYSA-N , csc:METKIMKYRPQLGS-UHFFFAOYSA-N , csc:MFOUDYKPLGXPGO-UHFFFAOYSA-N , csc:OBZIQQJJIKNWNO-UHFFFAOYSA-N , csc:KRHYYFGTRYWZRS-UHFFFAOYSA-M , csc:QPFMBZIOSGYJDE-UHFFFAOYSA-N , csc:DOIRQSBPFJWKBE-UHFFFAOYSA-N , csc:OKTJSMMVPCPJKN-UHFFFAOYSA-N , csc:ZNOLGFHPUIJIMJ-UHFFFAOYSA-N , csc:OCJBOOLMMGQPQU-UHFFFAOYSA-N , csc:LKJPSUCKSLORMF-UHFFFAOYSA-N , csc:AJDIZQLSFPQPEY-UHFFFAOYSA-N , csc:KFUSEUYYWQURPO-UPHRSURJSA-N , csc:RWSOTUBLDIXVET-UHFFFAOYSA-N , csc:WFDXOXNFNRHQEC-GHRIWEEISA-N , csc:HAXBIWFMXWRORI-UHFFFAOYSA-N , csc:RDYMFSUJUZBWLH-UHFFFAOYSA-N , csc:YFGYUFNIOHWBOB-UHFFFAOYSA-N , csc:JLVVSXFLKOJNIY-UHFFFAOYSA-N , csc:DMLQSUZPTTUUDP-UHFFFAOYSA-N , csc:ROSDSFDQCJNGOL-UHFFFAOYSA-N , csc:PMCVMORKVPSKHZ-UHFFFAOYSA-N , csc:XLNZEKHULJKQBA-UHFFFAOYSA-N , csc:IIBYAHWJQTYFKB-UHFFFAOYSA-N , csc:WFKWXMTUELFFGS-UHFFFAOYSA-N , csc:DFWFIQKMSFGDCQ-UHFFFAOYSA-N , csc:BZRUVKZGXNSXMB-UHFFFAOYSA-N , csc:GBNHEBQXJVDXSW-UHFFFAOYSA-N , csc:RULKYXXCCZZKDZ-UHFFFAOYSA-N , csc:IAYPIBMASNFSPL-UHFFFAOYSA-N , csc:KUFFULVDNCHOFZ-UHFFFAOYSA-N , csc:DNXHEGUUPJUMQT-CBZIJGRNSA-N , csc:ZXFXBSWRVIQKOD-UHFFFAOYSA-N , csc:HGUFODBRKLSHSI-UHFFFAOYSA-N , csc:VTNQPKFIQCLBDU-UHFFFAOYSA-N , csc:VHCNQEUWZYOAEV-UHFFFAOYSA-N , csc:IISBACLAFKSPIT-UHFFFAOYSA-N , csc:ZHLICBPIXDOFFG-UHFFFAOYSA-N , csc:WCYYQNSQJHPVMG-UHFFFAOYSA-N , csc:NLHHRLWOUZZQLW-UHFFFAOYSA-N , csc:FRCCEHPWNOQAEU-UHFFFAOYSA-N , csc:ATROHALUCMTWTB-WYMLVPIESA-N , csc:PAYRUJLWNCNPSJ-UHFFFAOYSA-N , csc:IOJUPLGTWVMSFF-UHFFFAOYSA-N , csc:XUAWBXBYHDRROL-UHFFFAOYSA-N , csc:YHRUOJUYPBUZOS-UHFFFAOYSA-N , csc:WJNRPILHGGKWCK-UHFFFAOYSA-N , csc:PXMNMQRDXWABCY-UHFFFAOYSA-N , csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N , csc:HUBANNPOLNYSAD-UHFFFAOYSA-N , csc:VYZAHLCBVHPDDF-UHFFFAOYSA-N , csc:CWJSHJJYOPWUGX-UHFFFAOYSA-N , csc:XGYLSRFSXKAYCR-UHFFFAOYSA-N , csc:BRPSAOUFIJSKOT-UHFFFAOYSA-N , csc:WDECIBYCCFPHNR-UHFFFAOYSA-N , csc:DIKBFYAXUHHXCS-UHFFFAOYSA-N , csc:REHONNLQRWTIFF-UHFFFAOYSA-N , csc:KUAZQDVKQLNFPE-UHFFFAOYSA-N , csc:QHOQHJPRIBSPCY-UHFFFAOYSA-N , csc:YAHNWSSFXMVPOU-UHFFFAOYSA-N , csc:NRXQIUSYPAHGNM-UHFFFAOYSA-N , csc:QSNSCYSYFYORTR-UHFFFAOYSA-N , csc:ISWSIDIOOBJBQZ-UHFFFAOYSA-N , csc:NPDACUSDTOMAMK-UHFFFAOYSA-N , csc:HOKKPVIRMVDYPB-UHFFFAOYSA-N , csc:DFBKLUNHFCTMDC-UHFFFAOYSA-N , csc:MVWHGTYKUMDIHL-UHFFFAOYSA-N , csc:IZUPBVBPLAPZRR-UHFFFAOYSA-N , csc:PZXOQEXFMJCDPG-UHFFFAOYSA-N , csc:IWDCLRJOBJJRNH-UHFFFAOYSA-N , csc:MZHCENGPTKEIGP-UHFFFAOYSA-N , csc:ZDYJWDIWLRZXDB-UHFFFAOYSA-N , csc:FHIVAFMUCKRCQO-UHFFFAOYSA-N , csc:FIAXCDIQXHJNIX-UHFFFAOYSA-N , csc:UHOVQNZJYSORNB-UHFFFAOYSA-N , csc:MEFQWPUMEMWTJP-UHFFFAOYSA-N , csc:ZUVPLKVDZNDZCM-UHFFFAOYSA-N , csc:RYHBNJHYFVUHQT-UHFFFAOYSA-N , csc:AHJKRLASYNVKDZ-UHFFFAOYSA-N , csc:KSMVNVHUTQZITP-UHFFFAOYSA-N , csc:HEDRZPFGACZZDS-UHFFFAOYSA-N , csc:ZTMKADLOSYKWCA-UHFFFAOYSA-N , csc:WCXDHFDTOYPNIE-UHFFFAOYSA-N , csc:CSHWQDPOILHKBI-UHFFFAOYSA-N , csc:UFWIBTONFRDIAS-UHFFFAOYSA-N , csc:XAGFODPZIPBFFR-UHFFFAOYSA-N , csc:AAPVQEMYVNZIOO-UHFFFAOYSA-N , csc:IROINLKCQGIITA-UHFFFAOYSA-N , csc:WHKUVVPPKQRRBV-UHFFFAOYSA-N , csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N , csc:GBAWQJNHVWMTLU-UHFFFAOYSA-N , csc:JHBKHLUZVFWLAG-UHFFFAOYSA-N , csc:KAATUXNTWXVJKI-UHFFFAOYSA-N , csc:WHHGLZMJPXIBIX-UHFFFAOYSA-N , csc:LINPIYWFGCPVIE-UHFFFAOYSA-N , csc:HEFNNWSXXWATRW-UHFFFAOYSA-N , csc:NTBYINQTYWZXLH-UHFFFAOYSA-N , csc:NFACJZMKEDPNKN-UHFFFAOYSA-N , csc:URLKBWYHVLBVBO-UHFFFAOYSA-N , csc:NBIIXXVUZAFLBC-UHFFFAOYSA-K , csc:SMYMJHWAQXWPDB-UHFFFAOYSA-N , csc:AQHHHDLHHXJYJD-UHFFFAOYSA-N , csc:LLWADFLAOKUBDR-UHFFFAOYSA-N , csc:CVXBEEMKQHEXEN-UHFFFAOYSA-N , csc:PTJQVJQAZSLKJO-UHFFFAOYSA-N , csc:QSHDDOUJBYECFT-UHFFFAOYSA-N , csc:CYRMSUTZVYGINF-UHFFFAOYSA-N , csc:IGFHQQFPSIBGKE-UHFFFAOYSA-N , csc:RQNWIZPPADIBDY-UHFFFAOYSA-N , csc:HCWZEPKLWVAEOV-UHFFFAOYSA-N , csc:YVGGHNCTFXOJCH-UHFFFAOYSA-N , csc:XFXPMWWXUTWYJX-UHFFFAOYSA-N , csc:VGVRPFIJEJYOFN-UHFFFAOYSA-N , csc:UFHFLCQGNIYNRP-JMRXTUGHSA-N , csc:PXBRQCKWGAHEHS-UHFFFAOYSA-N , csc:KFUSEUYYWQURPO-OWOJBTEDSA-N , csc:IUTPYMGCWINGEY-UHFFFAOYSA-N ;
skos:prefLabel "Chemische stoffen die in water gemeten worden."@nl .
csc:LZIPBJBQQPZLOR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:228289 ;
dbo:casNumber "6315-52-2" ;
dbo:formula "C16H18O6S2" ;
dbo:inchi "InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3" ;
dbo:iupacName "2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate"@en ;
dbo:pubchem "228289"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C=C2)C" ;
dbp:inchikey "LZIPBJBQQPZLOR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004309 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DpTolsfnC2ye" ;
skos:prefLabel "di-p-tolueensulfonaat-ethyleenglycol"@nl .
csc:DQJCHOQLCLEDLL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:39040 ;
dbo:casNumber "41814-78-2" ;
dbo:formula "C9H7N3S" ;
dbo:inchi "InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3" ;
dbo:iupacName "8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole"@en ;
dbo:pubchem "39040"^^xsd:int ;
dbo:smiles "CC1=C2C(=CC=C1)SC3=NN=CN23" ;
dbp:inchikey "DQJCHOQLCLEDLL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004201 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tcczl" ;
skos:prefLabel "tricyclazool"@nl .
csc:MSJLMQTXVKCUCD-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7132 ;
dbo:casNumber "93-23-2" ;
dbo:formula "C21H32BrN" ;
dbo:inchi "InChI=1S/C21H32N.BrH/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;/h11-12,14-16,18-19H,2-10,13,17H2,1H3;1H/q+1;/p-1" ;
dbo:iupacName "2-dodecylisoquinolin-2-ium bromide"@en ;
dbo:pubchem "7132"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]" ;
dbp:inchikey "MSJLMQTXVKCUCD-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0002566 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "dodecylisoquinolinium"@nl .
csc:ARXHIJMGSIYYRZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38015 ;
dbo:casNumber "38380-03-9" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-2-1-6(5-10(7)16)11-8(14)3-4-9(15)12(11)17/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-3-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "38015"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "ARXHIJMGSIYYRZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB110" ;
skos:prefLabel "2,3,3',4',6-pentachloorbifenyl"@nl .
csc:GGWBHVILAJZWKJ-KJEVSKRMSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033332 ;
dbo:casNumber "66357-59-3" , "66357-35-5" , "71130-06-8" ;
dbo:formula "C13H23ClN4O3S" ;
dbo:inchi "InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;" ;
dbo:iupacName "[\"(E)-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine hydrochloride\", \"N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine hydrochloride\"]"@en ;
dbo:pubchem "3033332"^^xsd:int ;
dbo:smiles "CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.Cl" ;
dbp:inchikey "GGWBHVILAJZWKJ-KJEVSKRMSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rantdne" ;
skos:prefLabel "ranitidine"@nl .
csc:SIXSYDAISGFNSX-OUBTZVSYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:107673 ;
dbo:casNumber "13967-63-0" ;
dbo:formula "Sc" ;
dbo:inchi "InChI=1S/Sc/i1+1" ;
dbo:iupacName "scandium-46"@en ;
dbo:pubchem "107673"^^xsd:int ;
dbo:smiles "[Sc]" ;
dbp:inchikey "SIXSYDAISGFNSX-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sc46" ;
skos:prefLabel "scandium 46"@nl .
csc:BHWVLZJTVIYLIV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:51043 ;
dbo:casNumber "70362-50-4" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H" ;
dbo:iupacName "1,2,3-trichloro-5-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "51043"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "BHWVLZJTVIYLIV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "3,4,4',5-tetrachlorobifenyl"@nl , "3,4,4',5-tetrachloorbifenyl (pcb81)"@nl , "pcb 81"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_70362-50-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB81" ;
skos:prefLabel "PCB 81"@nl ;
vcs:vmmParameterId "1370"^^xsd:int .
csc:BULHJTXRZFEUDQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38307 ;
dbo:casNumber "39638-32-9" ;
dbo:formula "C6H12Cl2O" ;
dbo:inchi "InChI=1S/C6H12Cl2O/c1-5(2,7)9-6(3,4)8/h1-4H3" ;
dbo:iupacName "2-chloro-2-(2-chloropropan-2-yloxy)propane"@en ;
dbo:pubchem "38307"^^xsd:int ;
dbo:smiles "CC(C)(OC(C)(C)Cl)Cl" ;
dbp:inchikey "BULHJTXRZFEUDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis2CliC3yEt" ;
skos:prefLabel "bis(2-chloorisopropyl)ether"@nl .
csc:CVXBEEMKQHEXEN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6129 ;
dbo:casNumber "3197-92-0" , "11130-47-5" , "52001-89-5" , "11095-11-7" , "63-25-2" , "51274-03-4" , "27636-33-5" ;
dbo:formula "C12H11NO2" ;
dbo:inchi "InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" ;
dbo:iupacName "naphthalen-1-yl N-methylcarbamate"@en ;
dbo:pubchem "6129"^^xsd:int ;
dbo:smiles "CNC(=O)OC1=CC=CC2=CC=CC=C21" ;
dbp:inchikey "CVXBEEMKQHEXEN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_63-25-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbrl" ;
skos:prefLabel "carbaryl"@nl ;
vcs:vmmParameterId "799"^^xsd:int .
csc:YOVRGSHRZRJTLZ-HZPDHXFCSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:108207 ;
dbo:casNumber "56354-06-4" ;
dbo:formula "C21H28O4" ;
dbo:inchi "InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1" ;
dbo:iupacName "(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid"@en ;
dbo:pubchem "108207"^^xsd:int ;
dbo:smiles "CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O" ;
dbp:inchikey "YOVRGSHRZRJTLZ-HZPDHXFCSA-N" ;
skos:broader csc:CHEMONTID_0003522 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "m11n9cbxd9TH" ;
skos:prefLabel "(-)-11-nor-9-carboxy-delta-9-tetrahydrocannabinol"@nl .
csc:IJDNQMDRQITEOD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7843 ;
dbo:casNumber "68475-59-2" , "68527-17-3" , "68476-42-6" , "106-97-8" , "68551-21-3" , "68514-31-8" ;
dbo:formula "C4H10" ;
dbo:inchi "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" ;
dbo:iupacName "BUTANE"@en ;
dbo:pubchem "7843"^^xsd:int ;
dbo:smiles "CCCC" ;
dbp:inchikey "IJDNQMDRQITEOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4a" ;
skos:prefLabel "butaan"@nl .
csc:CHNUNORXWHYHNE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29732 ;
dbo:casNumber "19666-30-9" ;
dbo:formula "C15H18Cl2N2O3" ;
dbo:inchi "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" ;
dbo:iupacName "5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one"@en ;
dbo:pubchem "29732"^^xsd:int ;
dbo:smiles "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" ;
dbp:inchikey "CHNUNORXWHYHNE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_19666-30-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OaDazn" ;
skos:prefLabel "oxadiazon"@nl ;
vcs:vmmParameterId "1030"^^xsd:int .
csc:ZNRLMGFXSPUZNR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8981 ;
dbo:casNumber "55069-42-6" , "26780-96-1" , "52038-43-4" , "147-47-7" ;
dbo:formula "C12H15N" ;
dbo:inchi "InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3" ;
dbo:iupacName "2,2,4-trimethyl-1H-quinoline"@en ;
dbo:pubchem "8981"^^xsd:int ;
dbo:smiles "CC1=CC(NC2=CC=CC=C12)(C)C" ;
dbp:inchikey "ZNRLMGFXSPUZNR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001716 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DH224TC1yq" ;
skos:prefLabel "1,2-dihydro-2,2,4-trimethylquinoline"@nl .
csc:WVDDGKGOMKODPV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:244 ;
dbo:casNumber "185532-71-2" , "1336-27-2" , "100-51-6" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" ;
dbo:iupacName "phenylmethanol"@en ;
dbo:pubchem "244"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CO" ;
dbp:inchikey "WVDDGKGOMKODPV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000033 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aHOxTol" ;
skos:prefLabel "alfa-hydroxytolueen"@nl .
csc:CTSLUCNDVMMDHG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9411 ;
dbo:casNumber "314-40-9" ;
dbo:formula "C9H13BrN2O2" ;
dbo:inchi "InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)" ;
dbo:iupacName "5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione"@en ;
dbo:pubchem "9411"^^xsd:int ;
dbo:smiles "CCC(C)N1C(=O)C(=C(NC1=O)C)Br" ;
dbp:inchikey "CTSLUCNDVMMDHG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001893 ;
skos:exactMatch wise:CAS_314-40-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bromcl" ;
skos:prefLabel "bromacil"@nl ;
vcs:vmmParameterId "1391"^^xsd:int .
csc:QBDSZLJBMIMQRS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11742 ;
dbo:casNumber "28261-59-8" , "599-64-4" ;
dbo:formula "C15H16O" ;
dbo:inchi "InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3" ;
dbo:iupacName "4-(2-phenylpropan-2-yl)phenol"@en ;
dbo:pubchem "11742"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O" ;
dbp:inchikey "QBDSZLJBMIMQRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4cumFol" ;
skos:prefLabel "4-cumylfenol"@nl .
csc:PMSYHBINVYHTNN-ONNFQVAWSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6436020 ;
dbo:casNumber "49794-90-3" , "131-72-6" ;
dbo:formula "C18H24N2O6" ;
dbo:inchi "InChI=1S/C18H24N2O6/c1-3-5-6-7-8-9-11-14-12-15(19(22)23)13-16(20(24)25)18(14)26-17(21)10-4-2/h4,10,12-13H,3,5-9,11H2,1-2H3/b10-4+" ;
dbo:iupacName "(2,4-dinitro-6-octylphenyl) (E)-but-2-enoate"@en ;
dbo:pubchem "6436020"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC" ;
dbp:inchikey "PMSYHBINVYHTNN-ONNFQVAWSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "meptdncp" ;
skos:prefLabel "meptyldinocap"@nl .
csc:RGLYKWWBQGJZGM-ISLYRVAYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:448537 ;
dbo:casNumber "8030-34-0" , "8049-42-1" , "56-53-1" , "22610-99-7" , "8053-00-7" , "6898-97-1" , "8026-45-7" , "8028-09-9" ;
dbo:formula "C18H20O2" ;
dbo:inchi "InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+" ;
dbo:iupacName "['4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol', '4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol']"@en ;
dbo:pubchem "448537"^^xsd:int ;
dbo:smiles "CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O" ;
dbp:inchikey "RGLYKWWBQGJZGM-ISLYRVAYSA-N" ;
skos:broader csc:CHEMONTID_0000253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2ysbsl" ;
skos:prefLabel "diethylstilboestrol"@nl .
csc:JUIQOABNSLTJSW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16867 ;
dbo:casNumber "2346-00-1" ;
dbo:formula "C4H7NS" ;
dbo:inchi "InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3" ;
dbo:iupacName "2-methyl-4,5-dihydro-1,3-thiazole"@en ;
dbo:pubchem "16867"^^xsd:int ;
dbo:smiles "CC1=NCCS1" ;
dbp:inchikey "JUIQOABNSLTJSW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y2tazlne" ;
skos:prefLabel "2-methyl-2-thiazoline"@nl .
csc:VZCCETWTMQHEPK-QNEBEIHSSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5280933 ;
dbo:casNumber "506-26-3" ;
dbo:formula "C18H30O2" ;
dbo:inchi "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-" ;
dbo:iupacName "(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid"@en ;
dbo:pubchem "5280933"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCC=CCCCCC(=O)O" ;
dbp:inchikey "VZCCETWTMQHEPK-QNEBEIHSSA-N" ;
skos:broader csc:CHEMONTID_0000504 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glnlzr" ;
skos:prefLabel "gamma-linoleenzuur"@nl .
csc:QSKPIOLLBIHNAC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:33 ;
dbo:casNumber "107-20-0" ;
dbo:formula "C2H3ClO" ;
dbo:inchi "InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2" ;
dbo:iupacName "2-CHLOROACETALDEHYDE"@en ;
dbo:pubchem "33"^^xsd:int ;
dbo:smiles "C(C=O)Cl" ;
dbp:inchikey "QSKPIOLLBIHNAC-UHFFFAOYSA-N" ;
skos:altLabel "chlooraceetaldehyde "@nl ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClacAh" ;
skos:prefLabel "chlooraceetaldehyde"@nl .
csc:LIPRQQHINVWJCH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:171378 ;
dbo:casNumber "54839-24-6" ;
dbo:formula "C7H14O3" ;
dbo:inchi "InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3" ;
dbo:iupacName "1-ethoxypropan-2-yl acetate"@en ;
dbo:pubchem "171378"^^xsd:int ;
dbo:smiles "CCOCC(C)OC(=O)C" ;
dbp:inchikey "LIPRQQHINVWJCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PGEEA" ;
skos:prefLabel "propyleenglycolmonoethyletheracetaat"@nl .
csc:LTQSAUHRSCMPLD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13707 ;
dbo:casNumber "950-10-7" , "12643-22-0" , "947-33-1" ;
dbo:formula "C8H16NO3PS2" ;
dbo:inchi "InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3" ;
dbo:iupacName "N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine"@en ;
dbo:pubchem "13707"^^xsd:int ;
dbo:smiles "CCOP(=O)(N=C1SCC(S1)C)OCC" ;
dbp:inchikey "LTQSAUHRSCMPLD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000408 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "meffln" ;
skos:prefLabel "mefosfolan"@nl .
csc:XKEFYDZQGKAQCN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7950 ;
dbo:casNumber "108-70-3" , "63697-19-8" ;
dbo:formula "C6H3Cl3" ;
dbo:inchi "InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H" ;
dbo:iupacName "1,3,5-Trichlorobenzene"@en ;
dbo:pubchem "7950"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "XKEFYDZQGKAQCN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_108-70-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TClBen" ;
skos:prefLabel "1,3,5-trichloorbenzeen"@nl ;
vcs:vmmParameterId "322"^^xsd:int .
csc:DKNWSYNQZKUICI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2130 ;
dbo:casNumber "768-94-5" ;
dbo:formula "C10H17N" ;
dbo:inchi "InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2" ;
dbo:iupacName "adamantan-1-amine"@en ;
dbo:pubchem "2130"^^xsd:int ;
dbo:smiles "C1C2CC3CC1CC(C2)(C3)N" ;
dbp:inchikey "DKNWSYNQZKUICI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amtdne" ;
skos:prefLabel "amantadine"@nl .
csc:FLASNYPZGWUPSU-SICDJOISSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71853 ;
dbo:casNumber "9012-76-4" , "57285-05-9" ;
dbo:formula "C56H103N9O39" ;
dbo:inchi "InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1" ;
dbo:iupacName "methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate"@en ;
dbo:pubchem "71853"^^xsd:int ;
dbo:smiles "COC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)O)CO)CO)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)N)O)N)O)N)O)N)O)N)O)N)O" ;
dbp:inchikey "FLASNYPZGWUPSU-SICDJOISSA-N" ;
skos:broader csc:CHEMONTID_0000198 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chitsn" ;
skos:prefLabel "chitosan"@nl .
csc:IAEGWXHKWJGQAZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26808 ;
dbo:casNumber "124765-77-1" , "14667-55-1" ;
dbo:formula "C7H10N2" ;
dbo:inchi "InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3" ;
dbo:iupacName "2,3,5-Trimethylpyrazine"@en ;
dbo:pubchem "26808"^^xsd:int ;
dbo:smiles "CC1=CN=C(C(=N1)C)C" ;
dbp:inchikey "IAEGWXHKWJGQAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000067 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "235TC1yprzne" ;
skos:prefLabel "2,3,5-trimethylpyrazine"@nl .
csc:QNDHIRFIMVNHBN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:22286931 ;
dbo:casNumber "2355-31-9" ;
dbo:formula "C11H6F17NO4S" ;
dbo:inchi "InChI=1S/C11H6F17NO4S/c1-29(2-3(30)31)34(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H2,1H3,(H,30,31)" ;
dbo:iupacName "2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]acetic acid"@en ;
dbo:pubchem "22286931"^^xsd:int ;
dbo:smiles "CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "QNDHIRFIMVNHBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MePFOSAA" , "NmeFOSAA" ;
skos:prefLabel "N-methylperfluoroctaansulfonamido-azijnzuur"@nl .
csc:VRXISYRYNOUKHO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3083763 ;
dbo:casNumber "2395-00-8" ;
dbo:formula "C8H2F15KO2" ;
dbo:inchi "InChI=1S/C8HF15O2.K.H/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;;/h(H,24,25);;/q;+1;-1" ;
dbo:iupacName "potassium; hydride; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid"@en ;
dbo:pubchem "3083763"^^xsd:int ;
dbo:smiles "[H-].C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.[K+]" ;
dbp:inchikey "VRXISYRYNOUKHO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA_K" ;
skos:prefLabel "perfluoroctaanzuur, kaliumzout"@nl .
csc:MLICVSDCCDDWMD-KVVVOXFISA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433168 ;
dbo:casNumber "143-18-0" ;
dbo:formula "C18H33KO2" ;
dbo:inchi "InChI=1S/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;" ;
dbo:iupacName "potassium (Z)-octadec-9-enoate"@en ;
dbo:pubchem "6433168"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCC(=O)[O-].[K+]" ;
dbp:inchikey "MLICVSDCCDDWMD-KVVVOXFISA-M" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Kolat" ;
skos:prefLabel "kaliumoleaat"@nl .
csc:OQZCSNDVOWYALR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91677 ;
dbo:casNumber "61213-25-0" , "89286-81-7" ;
dbo:formula "C12H10Cl2F3NO" ;
dbo:inchi "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" ;
dbo:iupacName "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one"@en ;
dbo:pubchem "91677"^^xsd:int ;
dbo:smiles "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" ;
dbp:inchikey "OQZCSNDVOWYALR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002336 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurcrdn" ;
skos:prefLabel "flurochloridon"@nl .
csc:ZIBGPFATKBEMQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8172 ;
dbo:casNumber "676-18-6" , "121202-29-7" , "118662-30-9" , "112-27-6" ;
dbo:formula "C6H14O4" ;
dbo:inchi "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" ;
dbo:iupacName "2-[2-(2-hydroxyethoxy)ethoxy]ethanol"@en ;
dbo:pubchem "8172"^^xsd:int ;
dbo:smiles "C(COCCOCCO)O" ;
dbp:inchikey "ZIBGPFATKBEMQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yegcl" ;
skos:prefLabel "triethyleenglycol"@nl .
csc:CIOAGBVUUVVLOB-OIOBTWANSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5464271 ;
dbo:casNumber "13967-73-2" ;
dbo:formula "Sr" ;
dbo:inchi "InChI=1S/Sr/i1-3" ;
dbo:iupacName "strontium-85"@en ;
dbo:pubchem "5464271"^^xsd:int ;
dbo:smiles "[Sr]" ;
dbp:inchikey "CIOAGBVUUVVLOB-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sr85" ;
skos:prefLabel "strontium 85"@nl .
csc:XOKCJXZZNAUIQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:414 ;
dbo:casNumber "34834-67-8" , "27323-64-4" , "37096-14-3" , "79581-34-3" ;
dbo:formula "C10H12N2O2" ;
dbo:inchi "InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3" ;
dbo:iupacName "3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one"@en ;
dbo:pubchem "414"^^xsd:int ;
dbo:smiles "CN1C(CC(C1=O)O)C2=CN=CC=C2" ;
dbp:inchikey "XOKCJXZZNAUIQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001975 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HOxctnne" ;
skos:prefLabel "hydroxycotinine"@nl .
csc:HWCKGOZZJDHMNC-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6285 ;
dbo:casNumber "65129-11-5" , "71-91-0" , "65129-07-9" ;
dbo:formula "C8H20BrN" ;
dbo:inchi "InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetraethylazanium bromide"@en ;
dbo:pubchem "6285"^^xsd:int ;
dbo:smiles "CC[N+](CC)(CC)CC.[Br-]" ;
dbp:inchikey "HWCKGOZZJDHMNC-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C2yeNHBr" ;
skos:prefLabel "tetraethylammonium bromide"@nl .
csc:LPDSNGAFAJYVKH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033870 ;
dbo:casNumber "1331-47-1" ;
dbo:formula "C12H10Cl2N2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2/c13-11-9(5-6-10(16)12(11)14)7-1-3-8(15)4-2-7/h1-6H,15-16H2" ;
dbo:iupacName "4-(4-aminophenyl)-2,3-dichloroaniline"@en ;
dbo:pubchem "3033870"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=C(C(=C(C=C2)N)Cl)Cl)N" ;
dbp:inchikey "LPDSNGAFAJYVKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003955 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClbzdne" ;
skos:prefLabel "dichloorbenzidine"@nl .
csc:GVEDOIATHPCYGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11931 ;
dbo:casNumber "612-75-9" ;
dbo:formula "C14H14" ;
dbo:inchi "InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3" ;
dbo:iupacName "1-methyl-3-(3-methylphenyl)benzene"@en ;
dbo:pubchem "11931"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C2=CC=CC(=C2)C" ;
dbp:inchikey "GVEDOIATHPCYGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1ybiFy" ;
skos:prefLabel "3,3'-dimethylbifenyl"@nl .
csc:VLHZQNGNJQYAIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29777 ;
dbo:casNumber "19781-73-8" ;
dbo:formula "C23H46" ;
dbo:inchi "InChI=1S/C23H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h23H,2-22H2,1H3" ;
dbo:iupacName "HEPTADECYLCYCLOHEXANE"@en ;
dbo:pubchem "29777"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC1CCCCC1" ;
dbp:inchikey "VLHZQNGNJQYAIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nC17yccC6a" ;
skos:prefLabel "n-heptadecylcyclohexaan"@nl .
csc:PHVNLLCAQHGNKU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41385 ;
dbo:casNumber "55290-64-7" ;
dbo:formula "C6H10O4S2" ;
dbo:inchi "InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3" ;
dbo:iupacName "2,3-dimethyl-5,6-dihydro-1,4-dithiine 1,1,4,4-tetraoxide"@en ;
dbo:pubchem "41385"^^xsd:int ;
dbo:smiles "CC1=C(S(=O)(=O)CCS1(=O)=O)C" ;
dbp:inchikey "PHVNLLCAQHGNKU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmtpn" ;
skos:prefLabel "dimethipin"@nl .
csc:OQDXASJSCOTNQS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9146 ;
dbo:casNumber "56832-73-6" , "203-33-8" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H" ;
dbo:iupacName "pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene"@en ;
dbo:pubchem "9146"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=CC=CC=C54" ;
dbp:inchikey "OQDXASJSCOTNQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000018 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BaF" ;
skos:prefLabel "benzo(a)fluorantheen"@nl .
csc:VWVSBHGCDBMOOT-OKPPOTDYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9793 ;
dbo:casNumber "382-67-2" ;
dbo:formula "C22H29FO4" ;
dbo:inchi "InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,18?,19?,20?,21?,22+/m1/s1" ;
dbo:iupacName "(9R,16R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "9793"^^xsd:int ;
dbo:smiles "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)F)C" ;
dbp:inchikey "VWVSBHGCDBMOOT-OKPPOTDYSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desOxmtsn" ;
skos:prefLabel "desoximetason"@nl .
csc:QORAVNMWUNPXAO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17097 ;
dbo:casNumber "53469-21-9" , "11104-29-3" , "2437-79-8" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H" ;
dbo:iupacName "2,4-dichloro-1-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "17097"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "QORAVNMWUNPXAO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB47" ;
skos:prefLabel "2,2',4,4'-tetrachloorbifenyl"@nl .
csc:JGSARLDLIJGVTE-MBNYWOFBSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5904 ;
dbo:casNumber "61-33-6" ;
dbo:formula "C16H18N2O4S" ;
dbo:inchi "InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1" ;
dbo:iupacName "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en ;
dbo:pubchem "5904"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C" ;
dbp:inchikey "JGSARLDLIJGVTE-MBNYWOFBSA-N" ;
skos:altLabel "penicilline g"@nl , "benzylpenicilline"@nl ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "penclnG" ;
skos:prefLabel "penicilline G"@nl .
csc:MTCPZNVSDFCBBE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91662 ;
dbo:casNumber "56558-16-8" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H" ;
dbo:iupacName "1,3,5-trichloro-2-(2,6-dichlorophenyl)benzene"@en ;
dbo:pubchem "91662"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "MTCPZNVSDFCBBE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB104" ;
skos:prefLabel "2,2',4,6,6'-pentachloorbifenyl"@nl .
csc:HSSBORCLYSCBJR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8630 ;
dbo:casNumber "133-90-4" ;
dbo:formula "C7H5Cl2NO2" ;
dbo:inchi "InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)" ;
dbo:iupacName "3-Amino-2,5-dichlorobenzoic acid"@en ;
dbo:pubchem "8630"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl" ;
dbp:inchikey "HSSBORCLYSCBJR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Ao25DClbzez" ;
skos:prefLabel "3-amino-2,5-dichloor-benzoezuur"@nl .
csc:WCIMWHNSWLLELS-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14663 ;
dbo:casNumber "1225-20-3" , "15845-98-4" , "2276-90-6" ;
dbo:formula "C11H8I3N2NaO4" ;
dbo:inchi "InChI=1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1" ;
dbo:iupacName "sodium 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate"@en ;
dbo:pubchem "14663"^^xsd:int ;
dbo:smiles "CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.[Na+]" ;
dbp:inchikey "WCIMWHNSWLLELS-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jotlmnzr" ;
skos:prefLabel "jotalaminezuur"@nl .
csc:METKIMKYRPQLGS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2249 ;
dbo:casNumber "29122-68-7" , "60966-51-0" ;
dbo:formula "C14H22N2O3" ;
dbo:inchi "InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)" ;
dbo:iupacName "2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide"@en ;
dbo:pubchem "2249"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O" ;
dbp:inchikey "METKIMKYRPQLGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002363 ;
skos:exactMatch wise:CAS_29122-68-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "atnll" ;
skos:prefLabel "atenolol"@nl ;
vcs:vmmParameterId "1394"^^xsd:int .
csc:XOXHILFPRYWFOD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6634 ;
dbo:casNumber "80-32-0" ;
dbo:formula "C10H9ClN4O2S" ;
dbo:inchi "InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)" ;
dbo:iupacName "4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide"@en ;
dbo:pubchem "6634"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl" ;
dbp:inchikey "XOXHILFPRYWFOD-UHFFFAOYSA-N" ;
skos:altLabel "sulfachloorpyridazine"@nl ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfClprdzne" ;
skos:prefLabel "sulfachloropyridazine"@nl .
csc:YPXOPAFVVHXQDP-ZZEZOPTASA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5809936 ;
dbo:casNumber "3118-97-6" ;
dbo:formula "C18H16N2O" ;
dbo:inchi "InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,19H,1-2H3/b20-18-" ;
dbo:iupacName "['1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one', '(1Z)-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one']"@en ;
dbo:pubchem "5809936"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)C" ;
dbp:inchikey "YPXOPAFVVHXQDP-ZZEZOPTASA-N" ;
skos:altLabel "c.i. solvent orange 7"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cisoe7" ;
skos:prefLabel "C.I. Solvent Orange 7"@nl .
csc:JZFZCLFEPXCRCA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93442 ;
dbo:casNumber "74472-40-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-2-1-3-6(14)9(5)10-7(15)4-8(16)11(17)12(10)18/h1-4H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,6-dichlorophenyl)benzene"@en ;
dbo:pubchem "93442"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "JZFZCLFEPXCRCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB145" ;
skos:prefLabel "2,2',3,4,6,6'-hexachloorbifenyl"@nl .
csc:CEAZRRDELHUEMR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3467 ;
dbo:casNumber "1403-66-3" ;
dbo:formula "C21H43N5O7" ;
dbo:inchi "InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3" ;
dbo:iupacName "2-[4,6-diamino-3-[3-amino-6-(1-methylaminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol"@en ;
dbo:pubchem "3467"^^xsd:int ;
dbo:smiles "CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC" ;
dbp:inchikey "CEAZRRDELHUEMR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001675 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gentmcne" ;
skos:prefLabel "gentamycine"@nl .
csc:RTDCJKARQCRONF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:25418 ;
dbo:casNumber "10595-95-6" ;
dbo:formula "C3H8N2O" ;
dbo:inchi "InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3" ;
dbo:iupacName "N-ethyl-N-methylnitrous amide"@en ;
dbo:pubchem "25418"^^xsd:int ;
dbo:smiles "CCN(C)N=O" ;
dbp:inchikey "RTDCJKARQCRONF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC2yNOAe" ;
skos:prefLabel "methylethylnitrosamine"@nl .
csc:IUYHQGMDSZOPDZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:41541 ;
dbo:casNumber "25323-68-6" , "55702-46-0" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H" ;
dbo:iupacName "1,2,3-trichloro-4-phenylbenzene"@en ;
dbo:pubchem "41541"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "IUYHQGMDSZOPDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB21" ;
skos:prefLabel "2,3,4-trichloorbifenyl"@nl .
csc:CYRHBNRLQMLULE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:45472 ;
dbo:casNumber "139749-52-3" , "66169-95-7" , "63936-56-1" , "68928-79-0" , "64589-00-0" ;
dbo:formula "C12HBr9O" ;
dbo:inchi "InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene"@en ;
dbo:pubchem "45472"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "CYRHBNRLQMLULE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "nonabroomdifenylether"@nl .
csc:CZGCEKJOLUNIFY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7474 ;
dbo:casNumber "100-00-5" ;
dbo:formula "C6H4ClNO2" ;
dbo:inchi "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" ;
dbo:iupacName "1-Chloro-4-nitrobenzene"@en ;
dbo:pubchem "7474"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])Cl" ;
dbp:inchikey "CZGCEKJOLUNIFY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_100-00-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Cl4NO2Ben" ;
skos:prefLabel "1-chloor-4-nitrobenzeen"@nl ;
vcs:vmmParameterId "333"^^xsd:int .
csc:DKGAVHZHDRPRBM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:6386 ;
dbo:casNumber "75-65-0" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" ;
dbo:iupacName "2-Methylpropan-2-ol"@en ;
dbo:pubchem "6386"^^xsd:int ;
dbo:smiles "CC(C)(C)O" ;
dbp:inchikey "DKGAVHZHDRPRBM-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_009 ;
skos:altLabel "tertiair-butanol"@nl ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ttC4ol" ;
skos:prefLabel "t-butanol"@nl .
csc:MFSWTRQUCLNFOM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:50896 ;
dbo:casNumber "86510-80-7" , "114180-25-5" , "69806-40-2" ;
dbo:formula "C16H13ClF3NO4" ;
dbo:inchi "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" ;
dbo:iupacName "methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "50896"^^xsd:int ;
dbo:smiles "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" ;
dbp:inchikey "MFSWTRQUCLNFOM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halOxfC1y" ;
skos:prefLabel "haloxyfop-methyl"@nl .
csc:WHKUVVPPKQRRBV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7204 ;
dbo:casNumber "94-74-6" , "50926-55-1" , "11111-13-0" , "11111-14-1" ;
dbo:formula "C9H9ClO3" ;
dbo:inchi "InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)" ;
dbo:iupacName "2-(4-chloro-2-methylphenoxy)acetic acid"@en ;
dbo:pubchem "7204"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OCC(=O)O" ;
dbp:inchikey "WHKUVVPPKQRRBV-UHFFFAOYSA-N" ;
skos:altLabel "2-methyl-4-chloorfenoxyazijnzuur"@nl , "mcpa"@nl , "(4-chloor-2methylfenoxy)azijnzuur"@nl ;
skos:broader csc:CHEMONTID_0004525 ;
skos:exactMatch wise:CAS_94-74-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCPA" ;
skos:prefLabel "(2-methyl-4-chloorfenoxy)azijnzuur (mcpa)"@nl ;
vcs:vmmParameterId "252"^^xsd:int .
csc:HAYXDMNJJFVXCI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104737 ;
dbo:casNumber "17428-41-0" ;
dbo:formula "As+5" ;
dbo:inchi "InChI=1S/As/q+5" ;
dbo:iupacName "arsenic(+5) cation"@en ;
dbo:pubchem "104737"^^xsd:int ;
dbo:smiles "[As+5]" ;
dbp:inchikey "HAYXDMNJJFVXCI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AsV" ;
skos:prefLabel "arseen (vijfwaardig)"@nl .
csc:BDCFWIDZNLCTMF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12053 ;
dbo:casNumber "617-94-7" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" ;
dbo:iupacName "2-Phenylpropan-2-ol"@en ;
dbo:pubchem "12053"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=CC=C1)O" ;
dbp:inchikey "BDCFWIDZNLCTMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyiC3ol" ;
skos:prefLabel "2-fenylisopropanol"@nl .
csc:CNQCVBJFEGMYDW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31192 ;
dbo:casNumber "22537-19-5" ;
dbo:formula "Lr" ;
dbo:inchi "InChI=1S/Lr" ;
dbo:iupacName "LAWRENCIUM"@en ;
dbo:pubchem "31192"^^xsd:int ;
dbo:smiles "[Lr]" ;
dbp:inchikey "CNQCVBJFEGMYDW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Lr" ;
skos:prefLabel "lawrencium"@nl .
csc:GKOZUEZYRPOHIO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23924 ;
dbo:casNumber "7439-88-5" , "22542-08-1" ;
dbo:formula "Ir" ;
dbo:inchi "InChI=1S/Ir" ;
dbo:iupacName "IRIDIUM"@en ;
dbo:pubchem "23924"^^xsd:int ;
dbo:smiles "[Ir]" ;
dbp:inchikey "GKOZUEZYRPOHIO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ir" ;
skos:prefLabel "iridium"@nl .
csc:GNPUIRFDBYALRI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19591 ;
dbo:casNumber "3770-48-7" ;
dbo:formula "C13H11N" ;
dbo:inchi "InChI=1S/C13H11N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8,14H,1H3" ;
dbo:iupacName "4-Methyl-9H-carbazole"@en ;
dbo:pubchem "19591"^^xsd:int ;
dbo:smiles "CC1=C2C3=CC=CC=C3NC2=CC=C1" ;
dbp:inchikey "GNPUIRFDBYALRI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1ycarbzl" ;
skos:prefLabel "4-methylcarbazol"@nl .
csc:ZSLUVFAKFWKJRC-AHCXROLUSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61724 ;
dbo:casNumber "14274-82-9" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-4" ;
dbo:iupacName "thorium-228"@en ;
dbo:pubchem "61724"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "ZSLUVFAKFWKJRC-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th228" ;
skos:prefLabel "thorium 228"@nl .
csc:PORWMNRCUJJQNO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6327182 ;
dbo:casNumber "137322-20-4" , "13494-80-9" ;
dbo:formula "Te" ;
dbo:inchi "InChI=1S/Te" ;
dbo:iupacName "TELLURIUM"@en ;
dbo:pubchem "6327182"^^xsd:int ;
dbo:smiles "[Te]" ;
dbp:inchikey "PORWMNRCUJJQNO-UHFFFAOYSA-N" ;
skos:altLabel "tellurium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Te" ;
skos:prefLabel "tellurium"@nl .
csc:KHQDWCKZXLWDNM-KPKJPENVSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6438196 ;
dbo:casNumber "28219-61-6" ;
dbo:formula "C14H24O" ;
dbo:inchi "InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+" ;
dbo:iupacName "(E)-2-ethyl-4-(2,2,3-trimethyl-1-cyclopent-3-enyl)but-2-en-1-ol"@en ;
dbo:pubchem "6438196"^^xsd:int ;
dbo:smiles "CCC(=CCC1CC=C(C1(C)C)C)CO" ;
dbp:inchikey "KHQDWCKZXLWDNM-KPKJPENVSA-N" ;
skos:broader csc:CHEMONTID_0001563 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ETCB" ;
skos:prefLabel "sandacanol"@nl .
csc:XTEGVFVZDVNBPF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6666 ;
dbo:casNumber "81-04-9" , "46874-44-6" ;
dbo:formula "C10H8O6S2" ;
dbo:inchi "InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)" ;
dbo:iupacName "naphthalene-1,5-disulfonic acid"@en ;
dbo:pubchem "6666"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O" ;
dbp:inchikey "XTEGVFVZDVNBPF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003600 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "15NafDsfzr" ;
skos:prefLabel "1,5-naftaleendisulfonzuur"@nl .
csc:WURBVZBTWMNKQT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39385 ;
dbo:casNumber "93779-51-2" , "43121-43-3" ;
dbo:formula "C14H16ClN3O2" ;
dbo:inchi "InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3" ;
dbo:iupacName "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one"@en ;
dbo:pubchem "39385"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl" ;
dbp:inchikey "WURBVZBTWMNKQT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tadmfn" ;
skos:prefLabel "triadimefon"@nl .
csc:GWXLDORMOJMVQZ-BJUDXGSMSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:166969 ;
dbo:casNumber "13982-30-4" ;
dbo:formula "Ce" ;
dbo:inchi "InChI=1S/Ce/i1-1" ;
dbo:iupacName "cerium-139"@en ;
dbo:pubchem "166969"^^xsd:int ;
dbo:smiles "[Ce]" ;
dbp:inchikey "GWXLDORMOJMVQZ-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ce139" ;
skos:prefLabel "cerium 139"@nl .
csc:UHOVQNZJYSORNB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 2.5.3"@nl , "VLAR II bijl. 4.4.2"@nl , "VLAR II (D2) diverse art."@nl , "VLAR III (D3, diverse art) "@nl ;
rdfs:seeAlso compound:241 ;
dbo:casNumber "174973-66-1" , "27271-55-2" , "26181-88-4" , "68956-52-5" , "71-43-2" , "54682-86-9" ;
dbo:formula "C6H6" ;
dbo:inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" ;
dbo:iupacName "BENZENE"@en ;
dbo:pubchem "241"^^xsd:int ;
dbo:smiles "C1=CC=CC=C1" ;
dbp:inchikey "UHOVQNZJYSORNB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_001 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_71-43-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ben" ;
skos:prefLabel "benzeen"@nl ;
vcs:vmmParameterId "212"^^xsd:int .
csc:BZLVMXJERCGZMT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15413 ;
dbo:casNumber "1634-04-4" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" ;
dbo:iupacName "2-Methoxy-2-methylpropane"@en ;
dbo:pubchem "15413"^^xsd:int ;
dbo:smiles "CC(C)(C)OC" ;
dbp:inchikey "BZLVMXJERCGZMT-UHFFFAOYSA-N" ;
skos:altLabel "methyl-tert.butyl-ether (mtbe)"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:exactMatch wise:CAS_1634-04-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yttC4yEtr" ;
skos:prefLabel "methyl-tertiair-butylether"@nl ;
vcs:vmmParameterId "878"^^xsd:int .
csc:OSUHJPCHFDQAIT-GFCCVEGCSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1617113 ;
dbo:casNumber "100646-51-3" ;
dbo:formula "C19H17ClN2O4" ;
dbo:inchi "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" ;
dbo:iupacName "ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate"@en ;
dbo:pubchem "1617113"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" ;
dbp:inchikey "OSUHJPCHFDQAIT-GFCCVEGCSA-N" ;
skos:altLabel "quizalofop-P-ethyl"@nl ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quizlfPC2y" ;
skos:prefLabel "quizalofop-p-ethyl"@nl .
csc:JMMWKPVZQRWMSS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7915 ;
dbo:casNumber "108-21-4" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" ;
dbo:iupacName "propan-2-yl acetate"@en ;
dbo:pubchem "7915"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C" ;
dbp:inchikey "JMMWKPVZQRWMSS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yactt" ;
skos:prefLabel "isopropylacetaat"@nl .
csc:ZMRUPTIKESYGQW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62882 ;
dbo:casNumber "318-98-9" ;
dbo:formula "C16H22ClNO2" ;
dbo:inchi "InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H" ;
dbo:iupacName "1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride"@en ;
dbo:pubchem "62882"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl" ;
dbp:inchikey "ZMRUPTIKESYGQW-UHFFFAOYSA-N" ;
skos:altLabel "propanolol, waterstofchloride"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propnllHCL" ;
skos:prefLabel "propranolol-hydrochloride"@nl .
csc:XSXIVVZCUAHUJO-HZJYTTRNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6439848 ;
dbo:casNumber "5598-38-9" ;
dbo:formula "C20H36O2" ;
dbo:inchi "InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-" ;
dbo:iupacName "(11Z,14Z)-icosa-11,14-dienoic acid"@en ;
dbo:pubchem "6439848"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCCCCCCCCCC(=O)O" ;
dbp:inchikey "XSXIVVZCUAHUJO-HZJYTTRNSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c1114C20aDzr" ;
skos:prefLabel "cis-11,14-eicosadieenzuur"@nl .
csc:ZFDIRQKJPRINOQ-HYXAFXHYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5354263 ;
dbo:casNumber "10544-63-5" ;
dbo:formula "C6H10O2" ;
dbo:inchi "InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-" ;
dbo:iupacName "ethyl (Z)-but-2-enoate"@en ;
dbo:pubchem "5354263"^^xsd:int ;
dbo:smiles "CCOC(=O)C=CC" ;
dbp:inchikey "ZFDIRQKJPRINOQ-HYXAFXHYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yctnt" ;
skos:prefLabel "ethylcrotonaat"@nl .
csc:GADNZGQWPNTMCH-NTMALXAHSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6386353 ;
dbo:casNumber "34880-43-8" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8-" ;
dbo:iupacName "(Z)-2-propylhept-2-enal"@en ;
dbo:pubchem "6386353"^^xsd:int ;
dbo:smiles "CCCCC=C(CCC)C=O" ;
dbp:inchikey "GADNZGQWPNTMCH-NTMALXAHSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3y2C7eal" ;
skos:prefLabel "2-propyl-2-heptenal"@nl .
csc:UGNWTBMOAKPKBL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8371 ;
dbo:casNumber "118-75-2" , "142655-99-0" ;
dbo:formula "C6Cl4O2" ;
dbo:inchi "InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11" ;
dbo:iupacName "2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione"@en ;
dbo:pubchem "8371"^^xsd:int ;
dbo:smiles "C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl" ;
dbp:inchikey "UGNWTBMOAKPKBL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chloranl" ;
skos:prefLabel "chloranil"@nl .
csc:SLCGUGMPSUYJAY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31068 ;
dbo:casNumber "33878-50-1" , "22212-55-1" , "38561-59-0" , "20453-96-7" ;
dbo:formula "C18H17Cl2NO3" ;
dbo:inchi "InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3" ;
dbo:iupacName "ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate"@en ;
dbo:pubchem "31068"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "SLCGUGMPSUYJAY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzyppC2y" ;
skos:prefLabel "benzoylprop-ethyl"@nl .
csc:QGMRQYFBGABWDR-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5982 ;
dbo:casNumber "10579-81-4" , "57-33-0" , "23714-57-0" , "8050-99-5" , "8023-11-8" ;
dbo:formula "C11H17N2NaO3" ;
dbo:inchi "InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1" ;
dbo:iupacName "['sodium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate', 'sodium 5-ethyl-5-pentan-2-ylpyrimidin-3-ide-2,4,6-trione', 'sodium 5-ethyl-2,6-dioxo-5-pentan-2-ylpyrimidin-4-olate']"@en ;
dbo:pubchem "5982"^^xsd:int ;
dbo:smiles "CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]" ;
dbp:inchikey "QGMRQYFBGABWDR-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pentbbtNa" ;
skos:prefLabel "pentobarbital-natrium"@nl .
csc:CYRMSUTZVYGINF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6389 ;
dbo:casNumber "75-69-4" , "62185-70-0" , "91315-61-6" , "83589-40-6" , "79620-41-0" ;
dbo:formula "CCl3F" ;
dbo:inchi "InChI=1S/CCl3F/c2-1(3,4)5" ;
dbo:iupacName "trichloro-fluoromethane"@en ;
dbo:pubchem "6389"^^xsd:int ;
dbo:smiles "C(F)(Cl)(Cl)Cl" ;
dbp:inchikey "CYRMSUTZVYGINF-UHFFFAOYSA-N" ;
skos:altLabel "trichloorfluormethaan "@nl ;
skos:broader csc:CHEMONTID_0004521 ;
skos:exactMatch wise:CAS_75-69-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK11" ;
skos:prefLabel "trichloorfluormethaan"@nl ;
vcs:vmmParameterId "387"^^xsd:int .
csc:RMMXTBMQSGEXHJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6009 ;
dbo:casNumber "144574-10-7" , "58-15-1" ;
dbo:formula "C13H17N3O" ;
dbo:inchi "InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3" ;
dbo:iupacName "4-dimethylamino-1,5-dimethyl-2-phenylpyrazol-3-one"@en ;
dbo:pubchem "6009"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C" ;
dbp:inchikey "RMMXTBMQSGEXHJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Aofnzn" ;
skos:prefLabel "aminofenazon"@nl .
csc:KXKVLQRXCPHEJC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6584 ;
dbo:casNumber "79-20-9" ;
dbo:formula "C3H6O2" ;
dbo:inchi "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" ;
dbo:iupacName "METHYL ACETATE"@en ;
dbo:pubchem "6584"^^xsd:int ;
dbo:smiles "CC(=O)OC" ;
dbp:inchikey "KXKVLQRXCPHEJC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_004 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0003416 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yactt" ;
skos:prefLabel "methylacetaat"@nl .
csc:LGPPATCNSOSOQH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:69636 ;
dbo:casNumber "685-63-2" ;
dbo:formula "C4F6" ;
dbo:inchi "InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10" ;
dbo:iupacName "1,1,2,3,4,4-Hexafluorobuta-1,3-diene"@en ;
dbo:pubchem "69636"^^xsd:int ;
dbo:smiles "C(=C(F)F)(C(=C(F)F)F)F" ;
dbp:inchikey "LGPPATCNSOSOQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxF13btDen" ;
skos:prefLabel "hexafluor-1,3-butadieen"@nl .
csc:BTFJIXJJCSYFAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12404 ;
dbo:casNumber "28679-05-2" , "629-96-9" ;
dbo:formula "C20H42O" ;
dbo:inchi "InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3" ;
dbo:iupacName "Icosan-1-ol"@en ;
dbo:pubchem "12404"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCO" ;
dbp:inchikey "BTFJIXJJCSYFAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002951 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C20ol" ;
skos:prefLabel "1-eicosanol"@nl .
csc:SWFNPENEBHAHEB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7265 ;
dbo:casNumber "95-85-2" ;
dbo:formula "C6H6ClNO" ;
dbo:inchi "InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2" ;
dbo:iupacName "2-Amino-4-chlorophenol"@en ;
dbo:pubchem "7265"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)N)O" ;
dbp:inchikey "SWFNPENEBHAHEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_95-85-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao4ClFol" ;
skos:prefLabel "2-amino-4-chloorfenol"@nl ;
vcs:vmmParameterId "348"^^xsd:int .
csc:GKLVYJBZJHMRIY-YPZZEJLDSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167171 ;
dbo:casNumber "14808-44-7" ;
dbo:formula "Tc" ;
dbo:inchi "InChI=1S/Tc/i1-2" ;
dbo:iupacName "technetium-96"@en ;
dbo:pubchem "167171"^^xsd:int ;
dbo:smiles "[Tc]" ;
dbp:inchikey "GKLVYJBZJHMRIY-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tc96" ;
skos:prefLabel "technetium 96"@nl .
csc:UYAHIZSMUZPPFV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23980 ;
dbo:casNumber "7440-52-0" , "110424-79-8" ;
dbo:formula "Er" ;
dbo:inchi "InChI=1S/Er" ;
dbo:iupacName "ERBIUM"@en ;
dbo:pubchem "23980"^^xsd:int ;
dbo:smiles "[Er]" ;
dbp:inchikey "UYAHIZSMUZPPFV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Er" ;
skos:prefLabel "erbium"@nl .
csc:YWTYJOPNNQFBPC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86418 ;
dbo:casNumber "105827-78-9" , "138261-41-3" ;
dbo:formula "C9H10ClN5O2" ;
dbo:inchi "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" ;
dbo:iupacName "N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide"@en ;
dbo:pubchem "86418"^^xsd:int ;
dbo:smiles "C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl" ;
dbp:inchikey "YWTYJOPNNQFBPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004667 ;
skos:exactMatch wise:CAS_138261-41-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imdcpd" ;
skos:prefLabel "imidacloprid"@nl ;
vcs:vmmParameterId "1440"^^xsd:int .
csc:WABPQHHGFIMREM-RNFDNDRNSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6337094 ;
dbo:casNumber "15816-77-0" ;
dbo:formula "Pb" ;
dbo:inchi "InChI=1S/Pb/i1+4" ;
dbo:iupacName "lead-211"@en ;
dbo:pubchem "6337094"^^xsd:int ;
dbo:smiles "[Pb]" ;
dbp:inchikey "WABPQHHGFIMREM-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pb211" ;
skos:prefLabel "lood 211"@nl .
csc:DYSXLQBUUOPLBB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11761 ;
dbo:casNumber "602-01-7" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "1-Methyl-2,3-dinitrobenzene"@en ;
dbo:pubchem "11761"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "DYSXLQBUUOPLBB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DNO2Tol" ;
skos:prefLabel "2,3-dinitrotolueen"@nl .
csc:YZBLFMPOMVTDJY-BFPKLJSTSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9571036 ;
dbo:casNumber "119719-24-3" , "113507-06-5" ;
dbo:formula "C37H53NO8" ;
dbo:inchi "InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33?,34+,36-,37+/m0/s1" ;
dbo:iupacName "(1R,4S,4'E,5'S,6R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one"@en ;
dbo:pubchem "9571036"^^xsd:int ;
dbo:smiles "CC1CC(=CCC2CC(CC3(O2)CC(=NOC)C(C(O3)C(=CC(C)C)C)C)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C" ;
dbp:inchikey "YZBLFMPOMVTDJY-BFPKLJSTSA-N" ;
skos:broader csc:CHEMONTID_0002902 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "moxdtn" ;
skos:prefLabel "moxidectin"@nl .
csc:WZCQRUWWHSTZEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7935 ;
dbo:casNumber "108-45-2" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2" ;
dbo:iupacName "benzene-1,3-diamine"@en ;
dbo:pubchem "7935"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)N)N" ;
dbp:inchikey "WZCQRUWWHSTZEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DAoBen" ;
skos:prefLabel "1,3-diaminobenzeen"@nl .
csc:KJZYNXUDTRRSPN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23988 ;
dbo:casNumber "7440-60-0" , "24490-89-9" , "110444-52-5" ;
dbo:formula "Ho" ;
dbo:inchi "InChI=1S/Ho" ;
dbo:iupacName "HOLMIUM"@en ;
dbo:pubchem "23988"^^xsd:int ;
dbo:smiles "[Ho]" ;
dbp:inchikey "KJZYNXUDTRRSPN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ho" ;
skos:prefLabel "holmium"@nl .
csc:VNWKTOKETHGBQD-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26873 ;
dbo:casNumber "14762-75-5" ;
dbo:formula "CH4" ;
dbo:inchi "InChI=1S/CH4/h1H4/i1+2" ;
dbo:iupacName "Carbane-14"@en ;
dbo:pubchem "26873"^^xsd:int ;
dbo:smiles "C" ;
dbp:inchikey "VNWKTOKETHGBQD-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C14" ;
skos:prefLabel "koolstof 14"@nl .
csc:TVFDJXOCXUVLDH-AKLPVKDBSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335316 ;
dbo:casNumber "14234-29-8" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs/i1+3" ;
dbo:iupacName "cesium-136"@en ;
dbo:pubchem "6335316"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "TVFDJXOCXUVLDH-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs136" ;
skos:prefLabel "cesium 136"@nl .
csc:QTXVAVXCBMYBJW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6691 ;
dbo:casNumber "81-81-2" , "56573-89-8" , "5543-56-6" , "5543-57-7" ;
dbo:formula "C19H16O4" ;
dbo:inchi "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3" ;
dbo:iupacName "2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one"@en ;
dbo:pubchem "6691"^^xsd:int ;
dbo:smiles "CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O" ;
dbp:inchikey "QTXVAVXCBMYBJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001633 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "warfrn" ;
skos:prefLabel "warfarin"@nl .
csc:XLYOFNOQVPJJNP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:962 ;
dbo:casNumber "17778-80-2" , "7732-18-5" , "14314-42-2" , "13670-17-2" , "558440-22-5" ;
dbo:formula "H2O" ;
dbo:inchi "InChI=1S/H2O/h1H2" ;
dbo:iupacName "oxidane"@en ;
dbo:pubchem "962"^^xsd:int ;
dbo:smiles "O" ;
dbp:inchikey "XLYOFNOQVPJJNP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "O18-H2O" ;
skos:prefLabel "zuurstof18 water"@nl .
csc:BTFQKIATRPGRBS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10722 ;
dbo:casNumber "529-20-4" ;
dbo:formula "C8H8O" ;
dbo:inchi "InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3" ;
dbo:iupacName "2-Methylbenzaldehyde"@en ;
dbo:pubchem "10722"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1C=O" ;
dbp:inchikey "BTFQKIATRPGRBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yBenAh" ;
skos:prefLabel "2-methyl-benzaldehyde"@nl .
csc:RDJGLLICXDHJDY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3342 ;
dbo:casNumber "31879-05-7" , "29679-58-1" ;
dbo:formula "C15H14O3" ;
dbo:inchi "InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)" ;
dbo:iupacName "2-[3-(phenoxy)phenyl]propanoic acid"@en ;
dbo:pubchem "3342"^^xsd:int ;
dbo:smiles "CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O" ;
dbp:inchikey "RDJGLLICXDHJDY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenpfn" ;
skos:prefLabel "fenoprofen"@nl .
csc:DEWLEGDTCGBNGU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7289 ;
dbo:casNumber "148584-48-9" , "96-23-1" , "26602-95-9" , "26545-73-3" , "27988-86-9" ;
dbo:formula "C3H6Cl2O" ;
dbo:inchi "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2" ;
dbo:iupacName "1,3-Dichloropropan-2-ol"@en ;
dbo:pubchem "7289"^^xsd:int ;
dbo:smiles "C(C(CCl)O)Cl" ;
dbp:inchikey "DEWLEGDTCGBNGU-UHFFFAOYSA-N" ;
skos:altLabel "1,3-dichloor-2-propanol"@nl ;
skos:broader csc:CHEMONTID_0002608 ;
skos:exactMatch wise:CAS_96-23-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClC3ol" , "13DCl2C3ol" ;
skos:prefLabel "dichloorpropanol"@nl ;
vcs:vmmParameterId "323"^^xsd:int .
csc:RANCECPPZPIPNO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:66 ;
dbo:casNumber "583-78-8" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H" ;
dbo:iupacName "2,5-dichlorophenol"@en ;
dbo:pubchem "66"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)O)Cl" ;
dbp:inchikey "RANCECPPZPIPNO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DClFol" ;
skos:prefLabel "2,5-dichloorfenol"@nl .
csc:LQOLIRLGBULYKD-JKIFEVAISA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6098 ;
dbo:casNumber "61-72-3" , "50763-55-8" , "8056-79-9" ;
dbo:formula "C19H18ClN3O5S" ;
dbo:inchi "InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1" ;
dbo:iupacName "(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en ;
dbo:pubchem "6098"^^xsd:int ;
dbo:smiles "CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O" ;
dbp:inchikey "LQOLIRLGBULYKD-JKIFEVAISA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cloxclne" ;
skos:prefLabel "cloxacilline"@nl .
csc:YVBGRQLITPHVOP-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26118 ;
dbo:casNumber "13573-18-7" ;
dbo:formula "H3Na2O10P3" ;
dbo:inchi "InChI=1S/2Na.H5O10P3/c;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2" ;
dbo:iupacName "disodium [hydroxy-(hydroxy-oxidophosphoryl)oxyphosphoryl] hydrogen phosphate"@en ;
dbo:pubchem "26118"^^xsd:int ;
dbo:smiles "OP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-].[Na+].[Na+]" ;
dbp:inchikey "YVBGRQLITPHVOP-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000656 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaTplPO4" ;
skos:prefLabel "natriumtripolyfosfaat"@nl .
csc:CVKMFSAVYPAZTQ-ZCFIWIBFSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6999857 ;
dbo:casNumber "4536-23-6" ;
dbo:formula "C7H13O2-" ;
dbo:inchi "InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1/t6-/m1/s1" ;
dbo:iupacName "(2R)-2-methylhexanoate"@en ;
dbo:pubchem "6999857"^^xsd:int ;
dbo:smiles "CCCCC(C)C(=O)[O-]" ;
dbp:inchikey "CVKMFSAVYPAZTQ-ZCFIWIBFSA-M" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC6azr" ;
skos:prefLabel "2-methylhexaanzuur"@nl .
csc:VHYCDWMUTMEGQY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2405 ;
dbo:casNumber "66722-44-9" ;
dbo:formula "C18H31NO4" ;
dbo:inchi "InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3" ;
dbo:iupacName "1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol"@en ;
dbo:pubchem "2405"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O" ;
dbp:inchikey "VHYCDWMUTMEGQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002542 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bispll" ;
skos:prefLabel "bisoprolol"@nl .
csc:ZCTNDJSCLPJCRA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:49923 ;
dbo:casNumber "67517-48-0" ;
dbo:formula "C12H3Cl5O" ;
dbo:inchi "InChI=1S/C12H3Cl5O/c13-4-1-2-6-5(3-4)7-8(14)9(15)10(16)11(17)12(7)18-6/h1-3H" ;
dbo:iupacName "1,2,3,4,8-PENTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "49923"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C1Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "ZCTNDJSCLPJCRA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003029 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF89" ;
skos:prefLabel "1,2,3,4,8-pentachloordibenzofuraan"@nl .
csc:HGLDOAKPQXAFKI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23997 ;
dbo:casNumber "7440-71-3" , "22541-43-1" ;
dbo:formula "Cf" ;
dbo:inchi "InChI=1S/Cf" ;
dbo:iupacName "CALIFORNIUM"@en ;
dbo:pubchem "23997"^^xsd:int ;
dbo:smiles "[Cf]" ;
dbp:inchikey "HGLDOAKPQXAFKI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cf" ;
skos:prefLabel "californium"@nl .
csc:DIAQQISRBBDJIM-DRSCAGMXSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6437382 ;
dbo:casNumber "96180-79-9" ;
dbo:formula "C46H67N7O12" ;
dbo:inchi "InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1" ;
dbo:iupacName "(5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6437382"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)C)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C" ;
dbp:inchikey "DIAQQISRBBDJIM-DRSCAGMXSA-N" ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC-LA" ;
skos:prefLabel "microsystine-LA"@nl .
csc:NPYPAHLBTDXSSS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:813 ;
dbo:casNumber "7440-09-7" , "24203-36-9" ;
dbo:formula "K+" ;
dbo:inchi "InChI=1S/K/q+1" ;
dbo:iupacName "potassium(+1) cation"@en ;
dbo:pubchem "813"^^xsd:int ;
dbo:smiles "[K+]" ;
dbp:inchikey "NPYPAHLBTDXSSS-UHFFFAOYSA-N" ;
skos:altLabel "kalium"@nl ;
skos:broader csc:CHEMONTID_0000425 ;
skos:exactMatch wise:CAS_7440-09-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "K" ;
skos:prefLabel "kalium, \uFFFD\uFFFDnwaardig"@nl ;
vcs:vmmParameterId "744"^^xsd:int , "988"^^xsd:int , "1943"^^xsd:int , "1258"^^xsd:int .
csc:KVBKAPANDHPRDG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31301 ;
dbo:casNumber "76199-55-8" , "124-73-2" ;
dbo:formula "C2Br2F4" ;
dbo:inchi "InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8" ;
dbo:iupacName "1,2-Dibromo-1,1,2,2-tetrafluoroethane"@en ;
dbo:pubchem "31301"^^xsd:int ;
dbo:smiles "C(C(F)(F)Br)(F)(F)Br" ;
dbp:inchikey "KVBKAPANDHPRDG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halon2402" ;
skos:prefLabel "1,2-dibroomtetrafluorethaan"@nl .
csc:AXKZIDYFAMKWSA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13064 ;
dbo:casNumber "777-95-7" ;
dbo:formula "C10H16O4" ;
dbo:inchi "InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2" ;
dbo:iupacName "1,6-DIOXACYCLODODECANE-7,12-DIONE"@en ;
dbo:pubchem "13064"^^xsd:int ;
dbo:smiles "C1CCC(=O)OCCCCOC(=O)C1" ;
dbp:inchikey "AXKZIDYFAMKWSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "16DOxccC12a7" ;
skos:prefLabel "1,6-dioxacyclododecaan-7,12-dion"@nl .
csc:WGYKZJWCGVVSQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7852 ;
dbo:casNumber "68187-45-1" , "68130-69-8" , "68130-70-1" , "68187-43-9" , "42939-71-9" , "68187-44-0" , "107-10-8" ;
dbo:formula "C3H9N" ;
dbo:inchi "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" ;
dbo:iupacName "Propan-1-amine"@en ;
dbo:pubchem "7852"^^xsd:int ;
dbo:smiles "CCCN" ;
dbp:inchikey "WGYKZJWCGVVSQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoC3a" ;
skos:prefLabel "1-aminopropaan"@nl .
csc:ZNQVEEAIQZEUHB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8076 ;
dbo:casNumber "96231-36-6" , "110-80-5" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" ;
dbo:iupacName "2-Ethoxyethanol"@en ;
dbo:pubchem "8076"^^xsd:int ;
dbo:smiles "CCOCCO" ;
dbp:inchikey "ZNQVEEAIQZEUHB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_003 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2oxC2ol" ;
skos:prefLabel "2-ethoxyethanol"@nl .
csc:BQYJATMQXGBDHF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86173 ;
dbo:casNumber "119446-68-3" ;
dbo:formula "C19H17Cl2N3O3" ;
dbo:inchi "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" ;
dbo:iupacName "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "86173"^^xsd:int ;
dbo:smiles "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" ;
dbp:inchikey "BQYJATMQXGBDHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfncnzl" ;
skos:prefLabel "difenoconazool"@nl .
csc:RVMKCACFKFAJPS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:57358057 ;
dbo:casNumber "39492-90-5" ;
dbo:formula "C6HF11O6" ;
dbo:inchi "InChI=1S/C6HF11O6/c7-2(8,1(18)19)20-4(12,13)22-6(16,17)23-5(14,15)21-3(9,10)11/h(H,18,19)" ;
dbo:iupacName "2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetic acid"@en ;
dbo:pubchem "57358057"^^xsd:int ;
dbo:smiles "C(=O)(C(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "RVMKCACFKFAJPS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFO4DA" ;
skos:prefLabel "perfluor-3,5,7,9-tetraoxadecaanzuur"@nl .
csc:GSWAOPJLTADLTN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als stikstofdioxide'"@nl , "VLAR II bijl. 2.5.3. 'stikstofoxiden'"@nl , " 'NOX als som van stikstofmonoxide (NO) en stikstofdioxide (NO2)'"@nl , "VLAR II (D5) 'stikstofoxiden, uitgedrukt in NO2' 'stikstofoxiden (NOx), uitgedrukt als NO2' 'NOx, uitgedrukt als NO2' 'NOx''"@nl , "VLAR II (D4) 'stikstofoxiden (uitgedrukt in NO2)'"@nl , "VLAR III (D3) 'stikstofmonoxide (NO) en stikstofdioxide (NO2), uitgedrukt in NO2'"@nl , "VLAR II (D2) 'stikstofoxiden (NOx)'"@nl , "VLAR III (D3, diverse art) 'NOx'"@nl , "VLAR III (D3, diverse art) 'NOx, uitgedrukt als NO2'"@nl ;
rdfs:seeAlso compound:160954 ;
dbo:casNumber "11104-93-1" , "11129-69-4" ;
dbo:formula "H3NO" ;
dbo:inchi "InChI=1S/H3NO/c1-2/h1H3" ;
dbo:iupacName "oxidoazanium"@en ;
dbo:pubchem "160954"^^xsd:int ;
dbo:smiles "[NH3+][O-]" ;
dbp:inchikey "GSWAOPJLTADLTN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "stikstofoxiden (NOx), uitgedrukt als NO2"@nl ;
skos:broader csc:CHEMONTID_0000554 ;
skos:definition "stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als NO2(def VLAR II, D1: stikstofoxiden: de som van stikstofmonoxide en stikstofdioxide, uitgedrukt als stikstofdioxide (NO2))"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "stikstofoxiden (nox), uitgedrukt als no2"@nl .
csc:UQMRAFJOBWOFNS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7206 ;
dbo:casNumber "94-80-4" ;
dbo:formula "C12H14Cl2O3" ;
dbo:inchi "InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3" ;
dbo:iupacName "butyl 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "7206"^^xsd:int ;
dbo:smiles "CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "UQMRAFJOBWOFNS-UHFFFAOYSA-N" ;
skos:altLabel "2,4-D butyl ester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC4yEsr" ;
skos:prefLabel "2,4-d butyl ester"@nl .
csc:AUODDLQVRAJAJM-GQYOKNPUSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:441204 ;
dbo:casNumber "21462-39-5" ;
dbo:formula "C18H34Cl2N2O5S" ;
dbo:inchi "InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12?,13+,14-,15-,16-,18-;/m1./s1" ;
dbo:iupacName "(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride"@en ;
dbo:pubchem "441204"^^xsd:int ;
dbo:smiles "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.Cl" ;
dbp:inchikey "AUODDLQVRAJAJM-GQYOKNPUSA-N" ;
skos:broader csc:CHEMONTID_0002205 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "clindamycine, waterstofchloride"@nl .
csc:GKOZUEZYRPOHIO-IGMARMGPSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66373 ;
dbo:casNumber "14694-69-0" ;
dbo:formula "Ir" ;
dbo:inchi "InChI=1S/Ir/i1+0" ;
dbo:iupacName "iridium-192"@en ;
dbo:pubchem "66373"^^xsd:int ;
dbo:smiles "[Ir]" ;
dbp:inchikey "GKOZUEZYRPOHIO-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ir192" ;
skos:prefLabel "iridium 192"@nl .
csc:PYZRQGJRPPTADH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3878 ;
dbo:casNumber "84057-84-1" ;
dbo:formula "C9H7Cl2N5" ;
dbo:inchi "InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)" ;
dbo:iupacName "6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine"@en ;
dbo:pubchem "3878"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N" ;
dbp:inchikey "PYZRQGJRPPTADH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lamtgne" ;
skos:prefLabel "lamotrigine"@nl .
csc:WVQBLGZPHOPPFO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4169 ;
dbo:casNumber "63150-68-5" , "55762-76-0" , "82535-90-8" , "94449-58-8" , "51218-45-2" ;
dbo:formula "C15H22ClNO2" ;
dbo:inchi "InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3" ;
dbo:iupacName "2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide"@en ;
dbo:pubchem "4169"^^xsd:int ;
dbo:smiles "CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C" ;
dbp:inchikey "WVQBLGZPHOPPFO-UHFFFAOYSA-N" ;
skos:altLabel "metolachloor"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_51218-45-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metlCl" ;
skos:prefLabel "metolachlor"@nl ;
vcs:vmmParameterId "1"^^xsd:int .
csc:SYDNSSSQVSOXTN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8391 ;
dbo:casNumber "119-33-5" , "68137-08-6" , "12167-20-3" ;
dbo:formula "C7H7NO3" ;
dbo:inchi "InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3" ;
dbo:iupacName "4-Methyl-2-nitrophenol"@en ;
dbo:pubchem "8391"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)O)[N+](=O)[O-]" ;
dbp:inchikey "SYDNSSSQVSOXTN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000141 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2pcsl" ;
skos:prefLabel "2-nitro-p-cresol"@nl .
csc:HHEFNVCDPLQQTP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24639 ;
dbo:casNumber "28499-39-0" , "7790-98-9" , "222532-79-8" , "19166-97-3" , "87110-01-8" , "13777-04-3" , "53026-82-7" ;
dbo:formula "ClH4NO4" ;
dbo:inchi "InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3" ;
dbo:iupacName "azanium perchlorate"@en ;
dbo:pubchem "24639"^^xsd:int ;
dbo:smiles "[NH4+].[O-]Cl(=O)(=O)=O" ;
dbp:inchikey "HHEFNVCDPLQQTP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001065 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NH4ClO4" ;
skos:prefLabel "ammoniumperchloraat"@nl .
csc:VYZAMTAEIAYCRO-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104786 ;
dbo:casNumber "14392-02-0" ;
dbo:formula "Cr" ;
dbo:inchi "InChI=1S/Cr/i1-1" ;
dbo:iupacName "chromium-51"@en ;
dbo:pubchem "104786"^^xsd:int ;
dbo:smiles "[Cr]" ;
dbp:inchikey "VYZAMTAEIAYCRO-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cr51" ;
skos:prefLabel "chroom 51"@nl .
csc:QYIXCDOBOSTCEI-NWKZBHTNSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:221122 ;
dbo:casNumber "360-68-9" ;
dbo:formula "C27H48O" ;
dbo:inchi "InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "221122"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C" ;
dbp:inchikey "QYIXCDOBOSTCEI-NWKZBHTNSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5acholet3bol" ;
skos:prefLabel "5-beta-cholestan-3-beta-ol"@nl .
csc:YWWVWXASSLXJHU-WAYWQWQTSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5281119 ;
dbo:casNumber "544-64-9" ;
dbo:formula "C14H26O2" ;
dbo:inchi "InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-" ;
dbo:iupacName "(Z)-Tetradec-9-enoic acid"@en ;
dbo:pubchem "5281119"^^xsd:int ;
dbo:smiles "CCCCC=CCCCCCCCC(=O)O" ;
dbp:inchikey "YWWVWXASSLXJHU-WAYWQWQTSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "myrslinzr" ;
skos:prefLabel "myristoleinezuur"@nl .
csc:XQUXKZZNEFRCAW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:47326 ;
dbo:casNumber "39515-41-8" , "64257-84-7" ;
dbo:formula "C22H23NO3" ;
dbo:inchi "InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "47326"^^xsd:int ;
dbo:smiles "CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C" ;
dbp:inchikey "XQUXKZZNEFRCAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenpratn" ;
skos:prefLabel "fenpropathrin"@nl .
csc:CMWTZPSULFXXJA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1302 ;
dbo:casNumber "26159-31-9" , "22204-53-1" , "23981-80-8" ;
dbo:formula "C14H14O3" ;
dbo:inchi "InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)" ;
dbo:iupacName "2-(6-methoxynaphthalen-2-yl)propanoic acid"@en ;
dbo:pubchem "1302"^^xsd:int ;
dbo:smiles "CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O" ;
dbp:inchikey "CMWTZPSULFXXJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_22204-53-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "napxn" ;
skos:prefLabel "naproxen"@nl ;
vcs:vmmParameterId "1406"^^xsd:int .
csc:HJWLCRVIBGQPNF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9309 ;
dbo:casNumber "128961-80-8" , "57807-91-7" , "300-57-2" ;
dbo:formula "C9H10" ;
dbo:inchi "InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2" ;
dbo:iupacName "prop-2-enylbenzene"@en ;
dbo:pubchem "9309"^^xsd:int ;
dbo:smiles "C=CCC1=CC=CC=C1" ;
dbp:inchikey "HJWLCRVIBGQPNF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3yeBen" ;
skos:prefLabel "2-propenylbenzeen"@nl .
csc:CXWXQJXEFPUFDZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8404 ;
dbo:casNumber "68412-24-8" , "119-64-2" ;
dbo:formula "C10H12" ;
dbo:inchi "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" ;
dbo:iupacName "1,2,3,4-Tetrahydronaphthalene"@en ;
dbo:pubchem "8404"^^xsd:int ;
dbo:smiles "C1CCC2=CC=CC=C2C1" ;
dbp:inchikey "CXWXQJXEFPUFDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1234T4HNaf" ;
skos:prefLabel "1,2,3,4-tetrahydronaftaleen"@nl .
csc:JYGXADMDTFJGBT-VWUMJDOOSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5754 ;
dbo:casNumber "8063-42-1" , "50-23-7" , "80562-38-5" , "8056-08-4" ;
dbo:formula "C21H30O5" ;
dbo:inchi "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "5754"^^xsd:int ;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O" ;
dbp:inchikey "JYGXADMDTFJGBT-VWUMJDOOSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hcortsn" ;
skos:prefLabel "hydrocortison"@nl .
csc:PUDIUYLPXJFUGB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23942 ;
dbo:casNumber "110123-50-7" , "7440-10-0" , "24562-03-6" ;
dbo:formula "Pr" ;
dbo:inchi "InChI=1S/Pr" ;
dbo:iupacName "PRASEODYMIUM"@en ;
dbo:pubchem "23942"^^xsd:int ;
dbo:smiles "[Pr]" ;
dbp:inchikey "PUDIUYLPXJFUGB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pr" ;
skos:prefLabel "praseodymium"@nl .
csc:AFTSHZRGGNMLHC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13132 ;
dbo:casNumber "812-04-4" ;
dbo:formula "C2HCl2F3" ;
dbo:inchi "InChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H" ;
dbo:iupacName "1,1-Dichloro-1,2,2-trifluoroethane"@en ;
dbo:pubchem "13132"^^xsd:int ;
dbo:smiles "C(C(F)(Cl)Cl)(F)F" ;
dbp:inchikey "AFTSHZRGGNMLHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK123b" ;
skos:prefLabel "1,1-dichloor-1,2,2-trifluorethaan"@nl .
csc:AXISYYRBXTVTFY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8042 ;
dbo:casNumber "110-27-0" , "1405-98-7" ;
dbo:formula "C17H34O2" ;
dbo:inchi "InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3" ;
dbo:iupacName "propan-2-yl tetradecanoate"@en ;
dbo:pubchem "8042"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC(=O)OC(C)C" ;
dbp:inchikey "AXISYYRBXTVTFY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3ymrtt" ;
skos:prefLabel "isopropylmyristaat"@nl .
csc:YXIWHUQXZSMYRE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8997 ;
dbo:casNumber "4464-58-8" , "119170-41-1" , "55199-93-4" , "112242-83-8" , "81605-65-4" , "12640-90-3" , "149-30-4" ;
dbo:formula "C7H5NS2" ;
dbo:inchi "InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)" ;
dbo:iupacName "3H-1,3-benzothiazole-2-thione"@en ;
dbo:pubchem "8997"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)S" ;
dbp:inchikey "YXIWHUQXZSMYRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2benztazetol" ;
skos:prefLabel "2-benzothiazolethiol"@nl .
csc:SOUGWDPPRBKJEX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:122087 ;
dbo:casNumber "156052-68-5" , "160171-18-6" ;
dbo:formula "C14H16Cl3NO2" ;
dbo:inchi "InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)" ;
dbo:iupacName "3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide"@en ;
dbo:pubchem "122087"^^xsd:int ;
dbo:smiles "CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl" ;
dbp:inchikey "SOUGWDPPRBKJEX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "zOaAd" ;
skos:prefLabel "zoxamide"@nl .
csc:YATDSXRLIUJOQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:128901 ;
dbo:casNumber "67640-14-6" ;
dbo:formula "C15H11Cl2F5O2" ;
dbo:inchi "InChI=1S/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3" ;
dbo:iupacName "(2,3,4,5,6-pentafluorophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "128901"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F)C=C(Cl)Cl)C" ;
dbp:inchikey "YATDSXRLIUJOQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenftn" ;
skos:prefLabel "fenfluthrin"@nl .
csc:JGFYQVQAXANWJU-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6123 ;
dbo:casNumber "62-74-8" ;
dbo:formula "C2H2FNaO2" ;
dbo:inchi "InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1" ;
dbo:iupacName "sodium 2-fluoroacetate"@en ;
dbo:pubchem "6123"^^xsd:int ;
dbo:smiles "C(C(=O)[O-])F.[Na+]" ;
dbp:inchikey "JGFYQVQAXANWJU-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaFactt" ;
skos:prefLabel "natriumfluoracetaat"@nl .
csc:ZLCSFXXPPANWQY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12100 ;
dbo:casNumber "620-14-4" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3" ;
dbo:iupacName "1-Ethyl-3-methylbenzene"@en ;
dbo:pubchem "12100"^^xsd:int ;
dbo:smiles "CCC1=CC=CC(=C1)C" ;
dbp:inchikey "ZLCSFXXPPANWQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2yTol" ;
skos:prefLabel "3-ethyltolueen"@nl .
csc:TZMHVHLTPWKZCI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40478 ;
dbo:casNumber "52663-71-5" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)10(5)17)8-6(14)3-7(15)11(18)12(8)19/h1-3H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "40478"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "TZMHVHLTPWKZCI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB171" ;
skos:prefLabel "2,2',3,3',4,4',6-heptachloorbifenyl"@nl .
csc:QQVHEQUEHCEAKS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19283 ;
dbo:casNumber "154766-25-3" , "85507-79-5" , "3648-20-2" ;
dbo:formula "C30H50O4" ;
dbo:inchi "InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3" ;
dbo:iupacName "diundecyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "19283"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC" ;
dbp:inchikey "QQVHEQUEHCEAKS-UHFFFAOYSA-N" ;
skos:altLabel "diundecylftalaat"@nl , "di-n-undecylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC11yFtvteln" , "DC11yFt" ;
skos:prefLabel "diundecylftalaat (vertakt en lineair)"@nl .
csc:RLFWWDJHLFCNIJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2151 ;
dbo:casNumber "83-07-8" ;
dbo:formula "C11H13N3O" ;
dbo:inchi "InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3" ;
dbo:iupacName "4-amino-1,5-dimethyl-2-phenylpyrazol-3-one"@en ;
dbo:pubchem "2151"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N" ;
dbp:inchikey "RLFWWDJHLFCNIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Aoatprne" ;
skos:prefLabel "4-aminoantipyrine"@nl .
csc:RTAQQCXQSZGOHL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23963 ;
dbo:casNumber "12718-64-8" , "53549-90-9" , "12794-00-2" , "37333-92-9" , "67796-94-5" , "14067-04-0" , "11147-83-4" , "195161-81-0" , "37269-05-9" , "62650-70-8" , "182260-48-6" , "57854-37-2" , "37261-68-0" , "37246-36-9" , "37301-57-8" , "37246-34-7" , "7440-32-6" , "54319-51-6" , "37246-37-0" ;
dbo:formula "Ti" ;
dbo:inchi "InChI=1S/Ti" ;
dbo:iupacName "TITANIUM"@en ;
dbo:pubchem "23963"^^xsd:int ;
dbo:smiles "[Ti]" ;
dbp:inchikey "RTAQQCXQSZGOHL-UHFFFAOYSA-N" ;
skos:altLabel "titaan"@nl , "titanium"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7440-32-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ti" ;
skos:prefLabel "titaan, opgelost"@nl ;
vcs:vmmParameterId "1975"^^xsd:int , "194"^^xsd:int , "195"^^xsd:int , "196"^^xsd:int .
csc:DLFVBJFMPXGRIB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:178 ;
dbo:casNumber "60-35-5" ;
dbo:formula "C2H5NO" ;
dbo:inchi "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" ;
dbo:iupacName "ACETAMIDE"@en ;
dbo:pubchem "178"^^xsd:int ;
dbo:smiles "CC(=O)N" ;
dbp:inchikey "DLFVBJFMPXGRIB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002484 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actAd" ;
skos:prefLabel "aceetamide"@nl .
csc:CJDWRQLODFKPEL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91734 ;
dbo:casNumber "99039-56-2" , "83121-18-0" ;
dbo:formula "C14H6Cl2F4N2O2" ;
dbo:inchi "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" ;
dbo:iupacName "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "91734"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F" ;
dbp:inchikey "CJDWRQLODFKPEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tefbzrn" ;
skos:prefLabel "teflubenzuron"@nl .
csc:MKPDWECBUAZOHP-AFYJWTTESA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5875 ;
dbo:casNumber "53-33-8" ;
dbo:formula "C22H29FO5" ;
dbo:inchi "InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1" ;
dbo:iupacName "(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "5875"^^xsd:int ;
dbo:smiles "CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)F" ;
dbp:inchikey "MKPDWECBUAZOHP-AFYJWTTESA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "parmtsn" ;
skos:prefLabel "paramethason"@nl .
csc:VPOMSPZBQMDLTM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11571 ;
dbo:casNumber "591-35-5" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H" ;
dbo:iupacName "3,5-Dichlorophenol"@en ;
dbo:pubchem "11571"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)O" ;
dbp:inchikey "VPOMSPZBQMDLTM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DClFol" ;
skos:prefLabel "3,5-dichloorfenol"@nl .
csc:XCYJPXQACVEIOS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10812 ;
dbo:casNumber "535-77-3" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3" ;
dbo:iupacName "1-methyl-3-propan-2-ylbenzene"@en ;
dbo:pubchem "10812"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C(C)C" ;
dbp:inchikey "XCYJPXQACVEIOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1iC3y3C1yBen" ;
skos:prefLabel "1-isopropyl-3-methyl-benzeen (m-cymeen)"@nl .
csc:CRQQGFGUEAVUIL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15910 ;
dbo:casNumber "1897-45-6" , "101963-73-9" , "37223-69-1" ;
dbo:formula "C8Cl4N2" ;
dbo:inchi "InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14" ;
dbo:iupacName "2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile"@en ;
dbo:pubchem "15910"^^xsd:int ;
dbo:smiles "C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl" ;
dbp:inchikey "CRQQGFGUEAVUIL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001530 ;
skos:exactMatch wise:CAS_1897-45-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cltlnl" ;
skos:prefLabel "chloorthalonil"@nl ;
vcs:vmmParameterId "1474"^^xsd:int .
csc:LFQSCWFLJHTTHZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl , "VLAR II Art 5.23.1.1."@nl ;
rdfs:seeAlso compound:702 ;
dbo:casNumber "64-17-5" , "121182-78-3" , "68475-56-9" , "71076-86-3" , "8000-16-6" , "71329-38-9" , "8024-45-1" ;
dbo:formula "C2H6O" ;
dbo:inchi "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" ;
dbo:iupacName "ethanol"@en ;
dbo:pubchem "702"^^xsd:int ;
dbo:smiles "CCO" ;
dbp:inchikey "LFQSCWFLJHTTHZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_000 , co:LUC_IV_009 ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2OH" ;
skos:prefLabel "ethanol"@nl .
csc:OPKOKAMJFNKNAS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8016 ;
dbo:casNumber "109-83-1" ;
dbo:formula "C3H9NO" ;
dbo:inchi "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3" ;
dbo:iupacName "2-Methylaminoethanol"@en ;
dbo:pubchem "8016"^^xsd:int ;
dbo:smiles "CNCCO" ;
dbp:inchikey "OPKOKAMJFNKNAS-UHFFFAOYSA-N" ;
skos:altLabel "N-methylethanolamine"@nl ;
skos:broader csc:CHEMONTID_0001897 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NMEA" ;
skos:prefLabel "n-methylethanolamine"@nl .
csc:OGPBJKLSAFTDLK-AKLPVKDBSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:105088 ;
dbo:casNumber "14391-16-3" ;
dbo:formula "Eu" ;
dbo:inchi "InChI=1S/Eu/i1+3" ;
dbo:iupacName "europium-155"@en ;
dbo:pubchem "105088"^^xsd:int ;
dbo:smiles "[Eu]" ;
dbp:inchikey "OGPBJKLSAFTDLK-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Eu155" ;
skos:prefLabel "europium 155"@nl .
csc:VDLGAVXLJYLFDH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:213031 ;
dbo:casNumber "126833-17-8" ;
dbo:formula "C14H17Cl2NO2" ;
dbo:inchi "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" ;
dbo:iupacName "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide"@en ;
dbo:pubchem "213031"^^xsd:int ;
dbo:smiles "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" ;
dbp:inchikey "VDLGAVXLJYLFDH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenhxAd" ;
skos:prefLabel "fenhexamide"@nl .
csc:JDWJZEXJARCHAT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6335496 ;
dbo:casNumber "2406-68-0" ;
dbo:formula "C6H7Sn" ;
dbo:inchi "InChI=1S/C6H7.Sn/c1-2-4-6-5-3-1;/h1-5H,6H2;" ;
dbo:iupacName "1-cyclohexa-2,4-dienyltin"@en ;
dbo:pubchem "6335496"^^xsd:int ;
dbo:smiles "C1C=CC=CC1[Sn]" ;
dbp:inchikey "JDWJZEXJARCHAT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004441 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "monofenyltin"@nl .
csc:NRXQIUSYPAHGNM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:15530 ;
dbo:casNumber "1689-83-4" ;
dbo:formula "C7H3I2NO" ;
dbo:inchi "InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H" ;
dbo:iupacName "4-Hydroxy-3,5-diiodobenzonitrile"@en ;
dbo:pubchem "15530"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1I)O)I)C#N" ;
dbp:inchikey "NRXQIUSYPAHGNM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001530 ;
skos:exactMatch wise:CAS_1689-83-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iOxnl" ;
skos:prefLabel "ioxynil"@nl ;
vcs:vmmParameterId "489"^^xsd:int .
csc:QGZKDVFQNNGYKY-UHFFFAOYSA-O
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:223 ;
dbo:casNumber "14158-23-7" , "6684-80-6" , "14798-03-9" ;
dbo:formula "H4N+" ;
dbo:inchi "InChI=1S/H3N/h1H3/p+1" ;
dbo:iupacName "['azanium', 'nitrogen(+1) dihydride cation']"@en ;
dbo:pubchem "223"^^xsd:int ;
dbo:smiles "[NH4+]" ;
dbp:inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-O" ;
dct:isReferencedBy co:WAC_III_E_022 , co:CMA_2_I_E.2 , co:WAC_III_E_021 , co:CMA_2_I_E.1 , co:WAC_IV_A_003 , co:LUC_VII_001 , co:CMA_2_I_E.4 , co:WAC_III_E_023 , co:CMA_2_II_A.16 , co:WAC_III_D_030 , co:CMA_2_I_E , co:WAC_V_B_003 , co:CMA_2_I_C.8 , co:WAC_III_E_020 , co:LUC_III_003 ;
skos:broader csc:CHEMONTID_0000434 ;
skos:exactMatch wise:CAS_14798-03-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NH4" ;
skos:prefLabel "ammonium"@nl ;
vcs:vmmParameterId "122"^^xsd:int , "2113"^^xsd:int , "121"^^xsd:int .
csc:NTBYINQTYWZXLH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7443 ;
dbo:casNumber "99-54-7" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H" ;
dbo:iupacName "1,2-Dichloro-4-nitrobenzene"@en ;
dbo:pubchem "7443"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl" ;
dbp:inchikey "NTBYINQTYWZXLH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_99-54-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClNO2Ben" ;
skos:prefLabel "3,4-dichloornitrobenzeen"@nl ;
vcs:vmmParameterId "777"^^xsd:int .
csc:XTFIVUDBNACUBN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8490 ;
dbo:casNumber "82030-42-0" , "53800-53-6" , "57608-45-4" , "121-82-4" , "50579-23-2" , "204655-61-8" ;
dbo:formula "C3H6N6O6" ;
dbo:inchi "InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2" ;
dbo:iupacName "1,3,5-trinitro-1,3,5-triazinane"@en ;
dbo:pubchem "8490"^^xsd:int ;
dbo:smiles "C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "XTFIVUDBNACUBN-UHFFFAOYSA-N" ;
skos:altLabel "hexahydro-1,3,5-trinitro-1,3,5-triazin (RDX)"@nl ;
skos:broader csc:CHEMONTID_0002798 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "RDX" ;
skos:prefLabel "hexahydro-1,3,5-trinitro-1,3,5-triazin (rdx)"@nl .
csc:SJWFXCIHNDVPSH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20083 ;
dbo:casNumber "4128-31-8" , "113244-40-9" , "113301-48-7" , "6169-06-8" , "123-96-6" , "25339-16-6" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3" ;
dbo:iupacName "octan-2-ol"@en ;
dbo:pubchem "20083"^^xsd:int ;
dbo:smiles "CCCCCCC(C)O" ;
dbp:inchikey "SJWFXCIHNDVPSH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C8ol" ;
skos:prefLabel "2-octanol"@nl .
csc:RKELNIPLHQEBJO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:591200 ;
dbo:casNumber "71888-89-6" , "151852-28-7" , "41451-28-9" ;
dbo:formula "C22H34O4" ;
dbo:inchi "InChI=1S/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3" ;
dbo:iupacName "bis(5-methylhexyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "591200"^^xsd:int ;
dbo:smiles "CC(C)CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC(C)C" ;
dbp:inchikey "RKELNIPLHQEBJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "di-isoheptylftalaat (mix van isomeren)"@nl .
csc:RNFNDJAIBTYOQL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2707 ;
dbo:casNumber "302-17-0" , "109128-19-0" ;
dbo:formula "C2H3Cl3O2" ;
dbo:inchi "InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H" ;
dbo:iupacName "2,2,2-Trichloroethane-1,1-diol"@en ;
dbo:pubchem "2707"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)(O)O" ;
dbp:inchikey "RNFNDJAIBTYOQL-UHFFFAOYSA-N" ;
skos:altLabel "trichlooracetal-dehyde-hydraat"@nl , "trichlooracetaldehyde-hydraat"@nl ;
skos:broader csc:CHEMONTID_0002608 ;
skos:exactMatch wise:CAS_302-17-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clahdt" ;
skos:prefLabel "chloralhydraat"@nl ;
vcs:vmmParameterId "521"^^xsd:int .
csc:KMAQZIILEGKYQZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8489 ;
dbo:casNumber "121-73-3" ;
dbo:formula "C6H4ClNO2" ;
dbo:inchi "InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" ;
dbo:iupacName "1-Chloro-3-nitrobenzene"@en ;
dbo:pubchem "8489"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "KMAQZIILEGKYQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_121-73-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Cl3NO2Ben" ;
skos:prefLabel "1-chloor-3-nitrobenzeen"@nl ;
vcs:vmmParameterId "332"^^xsd:int .
csc:ULGZDMOVFRHVEP-RWJQBGPGSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12560 ;
dbo:casNumber "82343-12-2" , "114-07-8" ;
dbo:formula "C37H67NO13" ;
dbo:inchi "InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1" ;
dbo:iupacName "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione"@en ;
dbo:pubchem "12560"^^xsd:int ;
dbo:smiles "CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O" ;
dbp:inchikey "ULGZDMOVFRHVEP-RWJQBGPGSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:exactMatch wise:CAS_114-07-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ertmcne" ;
skos:prefLabel "erytromycine"@nl ;
vcs:vmmParameterId "1411"^^xsd:int .
csc:DTGKSKDOIYIVQL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:64685 ;
dbo:casNumber "10385-78-1" , "507-70-0" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3" ;
dbo:iupacName "1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol"@en ;
dbo:pubchem "64685"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(C2)O)C)C" ;
dbp:inchikey "DTGKSKDOIYIVQL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bornol" ;
skos:prefLabel "borneol"@nl .
csc:BHAAPTBBJKJZER-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7732 ;
dbo:casNumber "104-94-9" ;
dbo:formula "C7H9NO" ;
dbo:inchi "InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3" ;
dbo:iupacName "4-Methoxyaniline"@en ;
dbo:pubchem "7732"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)N" ;
dbp:inchikey "BHAAPTBBJKJZER-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pansdne" ;
skos:prefLabel "p-anisidine"@nl .
csc:IMSSROKUHAOUJS-MJCUULBUSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6291 ;
dbo:casNumber "43085-54-7" , "72-33-3" , "53445-46-8" ;
dbo:formula "C21H26O2" ;
dbo:inchi "InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol"@en ;
dbo:pubchem "6291"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC" ;
dbp:inchikey "IMSSROKUHAOUJS-MJCUULBUSA-N" ;
skos:broader csc:CHEMONTID_0001466 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mesnl" ;
skos:prefLabel "mestranol"@nl .
csc:LCGTWRLJTMHIQZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9212 ;
dbo:casNumber "256-96-2" ;
dbo:formula "C14H11N" ;
dbo:inchi "InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H" ;
dbo:iupacName "11H-benzo[b][1]benzazepine"@en ;
dbo:pubchem "9212"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2" ;
dbp:inchikey "LCGTWRLJTMHIQZ-UHFFFAOYSA-N" ;
skos:altLabel "5H-dibenz[b,f]azepine"@nl ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5HDbenzbfazp" ;
skos:prefLabel "5h-dibenz[b,f]azepine"@nl .
csc:DJHGAFSJWGLOIV-UHFFFAOYSA-K
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27401 ;
dbo:casNumber "25537-06-8" , "15584-04-0" , "11126-32-2" ;
dbo:formula "AsO4-3" ;
dbo:inchi "InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3" ;
dbo:iupacName "arsorate"@en ;
dbo:pubchem "27401"^^xsd:int ;
dbo:smiles "[O-][As](=O)([O-])[O-]" ;
dbp:inchikey "DJHGAFSJWGLOIV-UHFFFAOYSA-K" ;
skos:broader csc:CHEMONTID_0001474 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AsO4" ;
skos:prefLabel "arsenaat"@nl .
csc:LPXPTNMVRIOKMN-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24269 ;
dbo:casNumber "7632-00-0" , "32863-15-3" , "82998-40-1" , "82497-43-6" , "56227-20-4" ;
dbo:formula "NNaO2" ;
dbo:inchi "InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1" ;
dbo:iupacName "SODIUM NITRITE"@en ;
dbo:pubchem "24269"^^xsd:int ;
dbo:smiles "N(=O)[O-].[Na+]" ;
dbp:inchikey "LPXPTNMVRIOKMN-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000644 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNaO2" ;
skos:prefLabel "natriumnitriet"@nl .
csc:RHLVCLIPMVJYKS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:246728 ;
dbo:casNumber "106-68-3" ;
dbo:formula "C8H16O" ;
dbo:inchi "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3" ;
dbo:iupacName "Octan-3-one"@en ;
dbo:pubchem "246728"^^xsd:int ;
dbo:smiles "CCCCCC(=O)CC" ;
dbp:inchikey "RHLVCLIPMVJYKS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yamktn" ;
skos:prefLabel "ethylamylketon"@nl .
csc:VYZCFAPUHSSYCC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6936 ;
dbo:casNumber "88-53-9" ;
dbo:formula "C7H8ClNO3S" ;
dbo:inchi "InChI=1S/C7H8ClNO3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)" ;
dbo:iupacName "2-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID"@en ;
dbo:pubchem "6936"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N" ;
dbp:inchikey "VYZCFAPUHSSYCC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003278 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao5Cl4C1yBe" ;
skos:prefLabel "2-amino-5-chloor-4-methylbenzeensulfonzuur"@nl .
csc:JHSPCUHPSIUQRB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16183 ;
dbo:casNumber "70852-53-8" , "2008-58-4" ;
dbo:formula "C7H5Cl2NO" ;
dbo:inchi "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" ;
dbo:iupacName "2,6-Dichlorobenzamide"@en ;
dbo:pubchem "16183"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" ;
dbp:inchikey "JHSPCUHPSIUQRB-UHFFFAOYSA-N" ;
skos:altLabel "2,6-dichlorobenzamide (bam)"@nl ;
skos:broader csc:CHEMONTID_0003098 ;
skos:exactMatch wise:CAS_2008-58-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClBenAd" ;
skos:prefLabel "2,6-dichloorbenzamide"@nl ;
vcs:vmmParameterId "1014"^^xsd:int .
csc:MUMQYXACQUZOFP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:25146 ;
dbo:casNumber "10311-84-9" ;
dbo:formula "C14H17ClNO4PS2" ;
dbo:inchi "InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3" ;
dbo:iupacName "2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione"@en ;
dbo:pubchem "25146"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=CC=CC=C2C1=O" ;
dbp:inchikey "MUMQYXACQUZOFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dalfs" ;
skos:prefLabel "dialifos"@nl .
csc:STUSTWKEFDQFFZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22544 ;
dbo:casNumber "6164-98-3" ;
dbo:formula "C10H13ClN2" ;
dbo:inchi "InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3" ;
dbo:iupacName "N'-(4-Chloro-2-methylphenyl)-N,N-dimethylmethanimidamide"@en ;
dbo:pubchem "22544"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)N=CN(C)C" ;
dbp:inchikey "STUSTWKEFDQFFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClDmfm" ;
skos:prefLabel "chloordimeform"@nl .
csc:KJRCEJOSASVSRA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6364 ;
dbo:casNumber "75-33-2" ;
dbo:formula "C3H8S" ;
dbo:inchi "InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3" ;
dbo:iupacName "Propane-2-thiol"@en ;
dbo:pubchem "6364"^^xsd:int ;
dbo:smiles "CC(C)S" ;
dbp:inchikey "KJRCEJOSASVSRA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3atol" ;
skos:prefLabel "2-propaanthiol"@nl .
csc:XKVUYEYANWFIJX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15073 ;
dbo:casNumber "1453-58-3" , "88054-14-2" ;
dbo:formula "C4H6N2" ;
dbo:inchi "InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)" ;
dbo:iupacName "3-methyl-2H-pyrazole"@en ;
dbo:pubchem "15073"^^xsd:int ;
dbo:smiles "CC1=CC=NN1" ;
dbp:inchikey "XKVUYEYANWFIJX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000087 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yprzl" ;
skos:prefLabel "3-methylpyrazol"@nl .
csc:QCDQDISRALTLNQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:78441 ;
dbo:casNumber "4710-17-2" ;
dbo:formula "C8H12N2O2S" ;
dbo:inchi "InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3" ;
dbo:iupacName "(dimethylsulfamoylamino)benzene"@en ;
dbo:pubchem "78441"^^xsd:int ;
dbo:smiles "CN(C)S(=O)(=O)NC1=CC=CC=C1" ;
dbp:inchikey "QCDQDISRALTLNQ-UHFFFAOYSA-N" ;
skos:altLabel "n,n-dimethyl-n'-fenylsulfamide"@nl ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC1yNFysAd" ;
skos:prefLabel "N,N-dimethyl-N'-fenylsulfamide"@nl .
csc:HGLDOAKPQXAFKI-IGMARMGPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:167416 ;
dbo:casNumber "15765-19-2" ;
dbo:formula "Cf" ;
dbo:inchi "InChI=1S/Cf/i1+0" ;
dbo:iupacName "californium-251"@en ;
dbo:pubchem "167416"^^xsd:int ;
dbo:smiles "[Cf]" ;
dbp:inchikey "HGLDOAKPQXAFKI-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cf251" ;
skos:prefLabel "californium 251"@nl .
csc:SDUQYLNIPVEERB-QPPQHZFASA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:60750 ;
dbo:casNumber "95058-81-4" ;
dbo:formula "C9H11F2N3O4" ;
dbo:inchi "InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1" ;
dbo:iupacName "4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one"@en ;
dbo:pubchem "60750"^^xsd:int ;
dbo:smiles "C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F" ;
dbp:inchikey "SDUQYLNIPVEERB-QPPQHZFASA-N" ;
skos:broader csc:CHEMONTID_0002180 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gemctbne" ;
skos:prefLabel "gemcitabine"@nl .
csc:JEWUXLHWYRSHJK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62315 ;
dbo:casNumber "128903-21-9" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(5,1(6)7)3(8,9)10/h1H" ;
dbo:iupacName "2,2-DICHLORO-1,1,1,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "62315"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)F)(Cl)Cl)(F)F" ;
dbp:inchikey "JEWUXLHWYRSHJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225aa" ;
skos:prefLabel "2,2-dichloor-1,1,1,3,3-pentafluorpropaan"@nl .
csc:GTCAXTIRRLKXRU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11722 ;
dbo:casNumber "598-55-0" ;
dbo:formula "C2H5NO2" ;
dbo:inchi "InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)" ;
dbo:iupacName "Methyl carbamate"@en ;
dbo:pubchem "11722"^^xsd:int ;
dbo:smiles "COC(=O)N" ;
dbp:inchikey "GTCAXTIRRLKXRU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004787 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1ycbmt" ;
skos:prefLabel "methylcarbamaat"@nl .
csc:FMMWHPNWAFZXNH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II (D2) 'benzo(a)pyreen'"@nl , "VLAR II bijl. 4.4.2"@nl , "VLAR II bijl. 2.5.8.1.'B(a)P'"@nl , "VLAR III (D3, diverse art)"@nl ;
rdfs:seeAlso compound:2336 ;
dbo:casNumber "42299-33-2" , "50-32-8" , "819804-28-9" , "6699-27-0" , "34505-58-3" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H" ;
dbo:iupacName "Benzo[a]pyrene"@en ;
dbo:pubchem "2336"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3" ;
dbp:inchikey "FMMWHPNWAFZXNH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "benzo(a)pyreen"@nl ;
skos:broader csc:CHEMONTID_0000316 ;
skos:exactMatch wise:CAS_50-32-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BaP" ;
skos:prefLabel "benzo(a)pyreen (b)"@nl ;
vcs:vmmParameterId "421"^^xsd:int , "1423"^^xsd:int .
csc:KWGUFOITWDSNQY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20965 ;
dbo:casNumber "4824-78-6" ;
dbo:formula "C10H12BrCl2O3PS" ;
dbo:inchi "InChI=1S/C10H12BrCl2O3PS/c1-3-14-17(18,15-4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "(4-bromo-2,5-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "20965"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)Br)Cl" ;
dbp:inchikey "KWGUFOITWDSNQY-UHFFFAOYSA-N" ;
skos:altLabel "bromofos-ethyl"@nl , "bromophos-ethyl"@nl ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yBrfs" ;
skos:prefLabel "ethylbromofos"@nl .
csc:KJTLSVCANCCWHF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23950 ;
dbo:casNumber "57572-01-7" , "100041-48-3" , "7440-18-8" ;
dbo:formula "Ru" ;
dbo:inchi "InChI=1S/Ru" ;
dbo:iupacName "RUTHENIUM"@en ;
dbo:pubchem "23950"^^xsd:int ;
dbo:smiles "[Ru]" ;
dbp:inchikey "KJTLSVCANCCWHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ru" ;
skos:prefLabel "ruthenium"@nl .
csc:CXRFDZFCGOPDTD-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14250 ;
dbo:casNumber "8044-71-1" , "114568-24-0" , "1119-97-7" , "10182-92-0" ;
dbo:formula "C17H38BrN" ;
dbo:inchi "InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "trimethyl-tetradecylazanium bromide"@en ;
dbo:pubchem "14250"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]" ;
dbp:inchikey "CXRFDZFCGOPDTD-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C14yTC1yNH4B" ;
skos:prefLabel "tetradecyltrimethylammonium bromide"@nl .
csc:QCCDLTOVEPVEJK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7678 ;
dbo:casNumber "103-79-7" , "136675-26-8" ;
dbo:formula "C9H10O" ;
dbo:inchi "InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" ;
dbo:iupacName "1-phenylpropan-2-one"@en ;
dbo:pubchem "7678"^^xsd:int ;
dbo:smiles "CC(=O)CC1=CC=CC=C1" ;
dbp:inchikey "QCCDLTOVEPVEJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fyactn" ;
skos:prefLabel "fenylaceton"@nl .
csc:NUIURNJTPRWVAP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8413 ;
dbo:casNumber "119-93-7" ;
dbo:formula "C14H16N2" ;
dbo:inchi "InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3" ;
dbo:iupacName "4-(4-amino-3-methylphenyl)-2-methylaniline"@en ;
dbo:pubchem "8413"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N" ;
dbp:inchikey "NUIURNJTPRWVAP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1ybzdne" ;
skos:prefLabel "3,3'-dimethylbenzidine"@nl .
csc:PLHJDBGFXBMTGZ-WEVVVXLNSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5323714 ;
dbo:casNumber "8027-73-4" , "8023-25-4" , "67-45-8" ;
dbo:formula "C8H7N3O5" ;
dbo:inchi "InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+" ;
dbo:iupacName "3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one"@en ;
dbo:pubchem "5323714"^^xsd:int ;
dbo:smiles "C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]" ;
dbp:inchikey "PLHJDBGFXBMTGZ-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0000194 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "furzldn" ;
skos:prefLabel "furazolidon"@nl .
csc:NHNBFGGVMKEFGY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:943 ;
dbo:casNumber "14797-55-8" , "84145-82-4" ;
dbo:formula "NO3-" ;
dbo:inchi "InChI=1S/NO3/c2-1(3)4/q-1" ;
dbo:iupacName "['NITRATE', 'azonic acid']"@en ;
dbo:pubchem "943"^^xsd:int ;
dbo:smiles "[N+](=O)([O-])[O-]" ;
dbp:inchikey "NHNBFGGVMKEFGY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_C_002 , co:CMA_2_IV_4 , co:WAC_III_D_032 ;
skos:broader csc:CHEMONTID_0001062 ;
skos:exactMatch wise:CAS_14797-55-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO3" ;
skos:prefLabel "nitraat"@nl ;
vcs:vmmParameterId "6"^^xsd:int , "8"^^xsd:int .
csc:MUDSDYNRBDKLGK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10285 ;
dbo:casNumber "491-35-0" ;
dbo:formula "C10H9N" ;
dbo:inchi "InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3" ;
dbo:iupacName "4-Methylquinoline"@en ;
dbo:pubchem "10285"^^xsd:int ;
dbo:smiles "CC1=CC=NC2=CC=CC=C12" ;
dbp:inchikey "MUDSDYNRBDKLGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yqnlne" ;
skos:prefLabel "4-methylquinoline"@nl .
csc:VNFPBHJOKIVQEB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2812 ;
dbo:casNumber "117829-71-7" , "23593-75-1" ;
dbo:formula "C22H17ClN2" ;
dbo:inchi "InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H" ;
dbo:iupacName "1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole"@en ;
dbo:pubchem "2812"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4" ;
dbp:inchikey "VNFPBHJOKIVQEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004524 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clotmzl" ;
skos:prefLabel "clotrimazol"@nl .
csc:RLLPVAHGXHCWKJ-MJGOQNOKSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:43859 ;
dbo:casNumber "61949-77-7" ;
dbo:formula "C21H20Cl2O3" ;
dbo:inchi "InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1" ;
dbo:iupacName "[3-(phenoxy)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "43859"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" ;
dbp:inchikey "RLLPVAHGXHCWKJ-MJGOQNOKSA-N" ;
skos:altLabel "trans-permethrin"@nl ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tpermtn" ;
skos:prefLabel "trans-permetryn"@nl .
csc:BEMXOWRVWRNPPL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:77323 ;
dbo:casNumber "3735-33-9" ;
dbo:formula "C11H12NO5PS" ;
dbo:inchi "InChI=1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" ;
dbo:iupacName "2-(dimethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione"@en ;
dbo:pubchem "77323"^^xsd:int ;
dbo:smiles "COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O" ;
dbp:inchikey "BEMXOWRVWRNPPL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosmOon" ;
skos:prefLabel "fosmet-oxon"@nl .
csc:MGLWZSOBALDPEK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13905 ;
dbo:casNumber "1014-70-6" ;
dbo:formula "C8H15N5S" ;
dbo:inchi "InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)" ;
dbo:iupacName "N,N'-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13905"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)SC)NCC" ;
dbp:inchikey "MGLWZSOBALDPEK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004735 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "simtn" ;
skos:prefLabel "simetryn"@nl .
csc:JXTHEWSKYLZVJC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8594 ;
dbo:casNumber "132-66-1" ;
dbo:formula "C18H13NO3" ;
dbo:inchi "InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)" ;
dbo:iupacName "2-(naphthalen-1-ylcarbamoyl)benzoic acid"@en ;
dbo:pubchem "8594"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O" ;
dbp:inchikey "JXTHEWSKYLZVJC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "naptlm" ;
skos:prefLabel "naptalam"@nl .
csc:GUUHFMWKWLOQMM-NTCAYCPXSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1550884 ;
dbo:casNumber "101-86-0" ;
dbo:formula "C15H20O" ;
dbo:inchi "InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+" ;
dbo:iupacName "['2-(phenylmethylidene)octanal', '(2E)-2-(phenylmethylidene)octanal']"@en ;
dbo:pubchem "1550884"^^xsd:int ;
dbo:smiles "CCCCCCC(=CC1=CC=CC=C1)C=O" ;
dbp:inchikey "GUUHFMWKWLOQMM-NTCAYCPXSA-N" ;
skos:broader csc:CHEMONTID_0000029 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aC6ycinnAh" ;
skos:prefLabel "alfa-hexylcinnamaldehyde"@nl .
csc:TVMXDCGIABBOFY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:356 ;
dbo:casNumber "111-65-9" , "50985-84-7" , "31372-91-5" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" ;
dbo:iupacName "octane"@en ;
dbo:pubchem "356"^^xsd:int ;
dbo:smiles "CCCCCCCC" ;
dbp:inchikey "TVMXDCGIABBOFY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_A_016 , co:LUC_IV_011 , co:LUC_IV_006 , co:LUC_IV_000 ;
skos:altLabel "n-octaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8a" ;
skos:prefLabel "octaan"@nl .
csc:RRRXPPIDPYTNJG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:69785 ;
dbo:casNumber "754-91-6" ;
dbo:formula "C8H2F17NO2S" ;
dbo:inchi "InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide"@en ;
dbo:pubchem "69785"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "RRRXPPIDPYTNJG-UHFFFAOYSA-N" ;
skos:altLabel "perfluoroctaansulfonamide (pfosa)"@nl , "perfluor-n-octaansulfonamide"@nl ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOSA" ;
skos:prefLabel "perfluoroctaansulfonamide"@nl .
csc:KGSQRFPDZCBVBS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:123478 ;
dbo:casNumber "38939-88-7" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3" ;
dbo:iupacName "2-chloro-4-methyl-1-nitrobenzene"@en ;
dbo:pubchem "123478"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)[N+](=O)[O-])Cl" ;
dbp:inchikey "KGSQRFPDZCBVBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl4NO2Tol" ;
skos:prefLabel "3-chloor-4-nitrotolueen"@nl .
csc:VOXZDWNPVJITMN-SFFUCWETSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:68570 ;
dbo:casNumber "57-91-0" ;
dbo:formula "C18H24O2" ;
dbo:inchi "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"@en ;
dbo:pubchem "68570"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "VOXZDWNPVJITMN-SFFUCWETSA-N" ;
skos:altLabel "17-alfa-estradiol"@nl ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "17aestDol" ;
skos:prefLabel "17alpha-estradiol"@nl .
csc:ZJMLMBICUVVJDX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14993 ;
dbo:casNumber "1420-06-0" ;
dbo:formula "C23H23NO" ;
dbo:inchi "InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2" ;
dbo:iupacName "4-[tri(phenyl)methyl]morpholine"@en ;
dbo:pubchem "14993"^^xsd:int ;
dbo:smiles "C1COCCN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4" ;
dbp:inchikey "ZJMLMBICUVVJDX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004524 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfmf" ;
skos:prefLabel "trifenmorf"@nl .
csc:HWSSEYVMGDIFMH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7979 ;
dbo:casNumber "77302-65-9" , "116117-65-8" , "76611-53-5" , "121484-13-7" , "143083-95-8" , "212247-03-5" , "121150-61-6" , "72145-92-7" , "52325-89-0" , "64641-52-7" , "202134-79-0" , "102770-39-8" , "113723-03-8" , "107869-00-1" , "120415-48-7" , "184845-37-2" , "37291-80-8" , "109-16-0" ;
dbo:formula "C14H22O6" ;
dbo:inchi "InChI=1S/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3" ;
dbo:iupacName "2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "7979"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C" ;
dbp:inchikey "HWSSEYVMGDIFMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yegclDmtc" ;
skos:prefLabel "triethyleenglycol dimethacrylaat"@nl .
csc:LTCDLGUFORGHGY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:92294 ;
dbo:casNumber "34084-50-9" ;
dbo:formula "C16H14FN3O" ;
dbo:inchi "InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3" ;
dbo:iupacName "7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "92294"^^xsd:int ;
dbo:smiles "CN1C(=O)CN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3F" ;
dbp:inchikey "LTCDLGUFORGHGY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "7Aofntzpm" ;
skos:prefLabel "7-aminoflunitrazepam"@nl .
csc:JRZJOMJEPLMPRA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31285 ;
dbo:casNumber "68855-57-2" , "124-11-8" , "68526-55-6" ;
dbo:formula "C9H18" ;
dbo:inchi "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3" ;
dbo:iupacName "non-1-ene"@en ;
dbo:pubchem "31285"^^xsd:int ;
dbo:smiles "CCCCCCCC=C" ;
dbp:inchikey "JRZJOMJEPLMPRA-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C9e" ;
skos:prefLabel "1-noneen"@nl .
csc:HZRSNVGNWUDEFX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6422843 ;
dbo:casNumber "175013-18-0" ;
dbo:formula "C19H18ClN3O4" ;
dbo:inchi "InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3" ;
dbo:iupacName "methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate"@en ;
dbo:pubchem "6422843"^^xsd:int ;
dbo:smiles "COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC" ;
dbp:inchikey "HZRSNVGNWUDEFX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrcsbn" ;
skos:prefLabel "pyraclostrobin"@nl .
csc:KLDXJTOLSGUMSJ-JGWLITMVSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12597 ;
dbo:casNumber "152881-21-5" , "151380-60-8" , "652-67-5" , "50974-60-2" , "42750-75-4" , "49871-92-3" ;
dbo:formula "C6H10O4" ;
dbo:inchi "InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1" ;
dbo:iupacName "(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol"@en ;
dbo:pubchem "12597"^^xsd:int ;
dbo:smiles "C1C(C2C(O1)C(CO2)O)O" ;
dbp:inchikey "KLDXJTOLSGUMSJ-JGWLITMVSA-N" ;
skos:broader csc:CHEMONTID_0001987 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "issbde" ;
skos:prefLabel "isosorbide"@nl .
csc:JNTHRSHGARDABO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9119 ;
dbo:casNumber "191-30-0" ;
dbo:formula "C24H14" ;
dbo:inchi "InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H" ;
dbo:iupacName "hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene"@en ;
dbo:pubchem "9119"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C6=CC=CC=C6C5=CC=C4" ;
dbp:inchikey "JNTHRSHGARDABO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000316 ;
skos:exactMatch wise:CAS_191-30-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBaiP" ;
skos:prefLabel "dibenzo(a,i)pyreen"@nl ;
vcs:vmmParameterId "1349"^^xsd:int .
csc:MOQGCGNUWBPGTQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9895 ;
dbo:casNumber "52844-21-0" , "432-25-7" ;
dbo:formula "C10H16O" ;
dbo:inchi "InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3" ;
dbo:iupacName "2,6,6-Trimethylcyclohexene-1-carbaldehyde"@en ;
dbo:pubchem "9895"^^xsd:int ;
dbo:smiles "CC1=C(C(CCC1)(C)C)C=O" ;
dbp:inchikey "MOQGCGNUWBPGTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003940 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "226TC1y1ccC6" ;
skos:prefLabel "2,6,6-trimethyl-1-cyclohexeen-1-carboxaldehyde"@nl .
csc:RIQIBKLXYRWFEJ-BRBBMYSQSA-J
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9570455 ;
dbo:casNumber "27569-07-9" , "10401-50-0" , "72882-28-1" , "23909-66-2" , "28407-37-6" , "190258-21-0" ;
dbo:formula "C32H20Cu2N6Na4O16S4" ;
dbo:inchi "InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,35-36,39-40H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;;;4*+1/p-4/b37-29-,38-30-;;;;;;" ;
dbo:iupacName "tetrasodium; (3E)-5-amino-3-[[4-[4-[(2E)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-hydroxyphenyl]-2-hydroxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate; copper"@en ;
dbo:pubchem "9570455"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-])O)O)NN=C5C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu]" ;
dbp:inchikey "RIQIBKLXYRWFEJ-BRBBMYSQSA-J" ;
skos:altLabel "c.i. direct blue 218"@nl ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cidbe218" ;
skos:prefLabel "C.I. Direct Blue 218"@nl .
csc:BVGDXTYHVRFEQZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:107953 ;
dbo:casNumber "77102-82-0" ;
dbo:formula "C12H6Br4" ;
dbo:inchi "InChI=1S/C12H6Br4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H" ;
dbo:iupacName "1,2-dibromo-4-(3,4-dibromophenyl)benzene"@en ;
dbo:pubchem "107953"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)Br)Br)Br" ;
dbp:inchikey "BVGDXTYHVRFEQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE77" ;
skos:prefLabel "3,3',4,4'-tetrabroomdifenylether"@nl .
csc:YIEDHPBKGZGLIK-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41478 ;
dbo:casNumber "65257-04-7" , "58591-11-0" , "55566-30-8" ;
dbo:formula "C8H24O12P2S" ;
dbo:inchi "InChI=1S/2C4H12O4P.H2O4S/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H2,1,2,3,4)/q2*+1;/p-2" ;
dbo:iupacName "tetrakis(hydroxymethyl)phosphanium sulfate"@en ;
dbo:pubchem "41478"^^xsd:int ;
dbo:smiles "C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-]" ;
dbp:inchikey "YIEDHPBKGZGLIK-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001180 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4kHOC1yPSO4" ;
skos:prefLabel "tetrakis(hydroxymethyl)fosfoniumsulfaat"@nl .
csc:WXWCDTXEKCVRRO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8445 ;
dbo:casNumber "120-71-8" ;
dbo:formula "C8H11NO" ;
dbo:inchi "InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2-Methoxy-5-methylaniline"@en ;
dbo:pubchem "8445"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)OC)N" ;
dbp:inchikey "WXWCDTXEKCVRRO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1yoansdne" ;
skos:prefLabel "5-methyl-o-anisidine"@nl .
csc:BXAONUZFBUNTQR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11933 ;
dbo:casNumber "612-83-9" ;
dbo:formula "C12H12Cl4N2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H" ;
dbo:iupacName "4-(4-amino-3-chlorophenyl)-2-chloroaniline dihydrochloride"@en ;
dbo:pubchem "11933"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl" ;
dbp:inchikey "BXAONUZFBUNTQR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DClbzdnDHC" ;
skos:prefLabel "3,3'-dichloorbenzidine dihydrochloride"@nl .
csc:WXFWXFIWDGJRSC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:78974 ;
dbo:casNumber "332-77-4" ;
dbo:formula "C6H10O3" ;
dbo:inchi "InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3" ;
dbo:iupacName "2,5-DIMETHOXY-2,5-DIHYDROFURAN"@en ;
dbo:pubchem "78974"^^xsd:int ;
dbo:smiles "COC1C=CC(O1)OC" ;
dbp:inchikey "WXFWXFIWDGJRSC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001983 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DHOx25DC1o" ;
skos:prefLabel "2,5-dihydro-2,5-dimethoxyfuran"@nl .
csc:HPNMFZURTQLUMO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:8021 ;
dbo:casNumber "109-89-7" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" ;
dbo:iupacName "N-ethylethanamine"@en ;
dbo:pubchem "8021"^^xsd:int ;
dbo:smiles "CCNCC" ;
dbp:inchikey "HPNMFZURTQLUMO-UHFFFAOYSA-N" ;
skos:altLabel "di-ethylamine"@nl , "di-ethylamine "@nl ;
skos:broader csc:CHEMONTID_0002228 ;
skos:exactMatch wise:CAS_109-89-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yAe" ;
skos:prefLabel "diethylamine"@nl ;
vcs:vmmParameterId "496"^^xsd:int .
csc:KYWIYKKSMDLRDC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8163 ;
dbo:casNumber "112-12-9" ;
dbo:formula "C11H22O" ;
dbo:inchi "InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3" ;
dbo:iupacName "Undecan-2-one"@en ;
dbo:pubchem "8163"^^xsd:int ;
dbo:smiles "CCCCCCCCCC(=O)C" ;
dbp:inchikey "KYWIYKKSMDLRDC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C11on" ;
skos:prefLabel "2-undecanon"@nl .
csc:FPYJFEHAWHCUMM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7923 ;
dbo:casNumber "224641-15-0" , "224641-13-8" , "108-31-6" , "24937-72-2" , "224641-16-1" , "184288-31-1" ;
dbo:formula "C4H2O3" ;
dbo:inchi "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" ;
dbo:iupacName "furan-2,5-dione"@en ;
dbo:pubchem "7923"^^xsd:int ;
dbo:smiles "C1=CC(=O)OC1=O" ;
dbp:inchikey "FPYJFEHAWHCUMM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002223 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25furDon" ;
skos:prefLabel "2,5-furaandion"@nl .
csc:GUYMMHOQXYZMJQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7603 ;
dbo:casNumber "102-27-2" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3" ;
dbo:iupacName "N-Ethyl-3-methylaniline"@en ;
dbo:pubchem "7603"^^xsd:int ;
dbo:smiles "CCNC1=CC=CC(=C1)C" ;
dbp:inchikey "GUYMMHOQXYZMJQ-UHFFFAOYSA-N" ;
skos:altLabel "n-ethyl-3-methylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC2y3C1yAn" ;
skos:prefLabel "N-ethyl-3-methylaniline"@nl .
csc:MBGYSHXGENGTBP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20342 ;
dbo:casNumber "4337-65-9" ;
dbo:formula "C14H26O4" ;
dbo:inchi "InChI=1S/C14H26O4/c1-3-5-8-12(4-2)11-18-14(17)10-7-6-9-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)" ;
dbo:iupacName "6-(2-ethylhexoxy)-6-oxohexanoic acid"@en ;
dbo:pubchem "20342"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)CCCCC(=O)O" ;
dbp:inchikey "MBGYSHXGENGTBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "M2C2yC6yC6aD" ;
skos:prefLabel "mono-(2-ethylhexyl)-hexaandioaat"@nl .
csc:PPTYJKAXVCCBDU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3380 ;
dbo:casNumber "1622-62-4" ;
dbo:formula "C16H12FN3O3" ;
dbo:inchi "InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3" ;
dbo:iupacName "5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "3380"^^xsd:int ;
dbo:smiles "CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F" ;
dbp:inchikey "PPTYJKAXVCCBDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluntzpm" ;
skos:prefLabel "flunitrazepam"@nl .
csc:RQKFYFNZSHWXAW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7255 ;
dbo:casNumber "95-74-9" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3" ;
dbo:iupacName "3-Chloro-4-methylaniline"@en ;
dbo:pubchem "7255"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N)Cl" ;
dbp:inchikey "RQKFYFNZSHWXAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:exactMatch wise:CAS_95-74-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl4C1yAn" ;
skos:prefLabel "3-chloor-4-methylaniline"@nl ;
vcs:vmmParameterId "1501"^^xsd:int .
csc:WXZOXVVKILCOPG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8733 ;
dbo:casNumber "137-89-3" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3" ;
dbo:iupacName "bis(2-ethylhexyl) benzene-1,3-dicarboxylate"@en ;
dbo:pubchem "8733"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC" ;
dbp:inchikey "WXZOXVVKILCOPG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis2C2yC6yEs" ;
skos:prefLabel "bis(2-ethylhexyl)ester 1,3-benzeendicarbonzuur"@nl .
csc:ORMSTDJYMPIZAO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9666 ;
dbo:casNumber "134237-34-6" , "359-28-4" ;
dbo:formula "C2H2Cl3F" ;
dbo:inchi "InChI=1S/C2H2Cl3F/c3-1(4)2(5)6/h1-2H" ;
dbo:iupacName "1,1,2-TRICHLORO-2-FLUOROETHANE"@en ;
dbo:pubchem "9666"^^xsd:int ;
dbo:smiles "C(C(Cl)Cl)(F)Cl" ;
dbp:inchikey "ORMSTDJYMPIZAO-UHFFFAOYSA-N" ;
skos:altLabel "1,2,2-trichloorfluorethaan (Fc-131)"@nl ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK131" ;
skos:prefLabel "1,2,2-trichloorfluorethaan (fc-131)"@nl .
csc:QPFMBZIOSGYJDE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6591 ;
dbo:casNumber "79-34-5" ;
dbo:formula "C2H2Cl4" ;
dbo:inchi "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" ;
dbo:iupacName "1,1,2,2-Tetrachloroethane"@en ;
dbo:pubchem "6591"^^xsd:int ;
dbo:smiles "C(C(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "QPFMBZIOSGYJDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_79-34-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1122T4ClC2a" ;
skos:prefLabel "1,1,2,2-tetrachloorethaan"@nl ;
vcs:vmmParameterId "309"^^xsd:int .
csc:LTEQMZWBSYACLV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14109 ;
dbo:casNumber "1077-16-3" , "1320-01-0" , "74296-34-7" ;
dbo:formula "C12H18" ;
dbo:inchi "InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3" ;
dbo:iupacName "Hexylbenzene"@en ;
dbo:pubchem "14109"^^xsd:int ;
dbo:smiles "CCCCCCC1=CC=CC=C1" ;
dbp:inchikey "LTEQMZWBSYACLV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6yBen" ;
skos:prefLabel "hexylbenzeen"@nl .
csc:OWBTYPJTUOEWEK-ZXZARUISSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:220010 ;
dbo:casNumber "5341-95-7" , "513-85-9" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+" ;
dbo:iupacName "(2R,3S)-butane-2,3-diol"@en ;
dbo:pubchem "220010"^^xsd:int ;
dbo:smiles "CC(C(C)O)O" ;
dbp:inchikey "OWBTYPJTUOEWEK-ZXZARUISSA-N" ;
skos:broader csc:CHEMONTID_0002467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23C4aDol" ;
skos:prefLabel "dimethylglycol"@nl .
csc:PYZSVQVRHDXQSL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:18771 ;
dbo:casNumber "11096-35-8" , "95591-89-2" , "3347-22-6" ;
dbo:formula "C14H4N2O2S2" ;
dbo:inchi "InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" ;
dbo:iupacName "5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile"@en ;
dbo:pubchem "18771"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N" ;
dbp:inchikey "PYZSVQVRHDXQSL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dtann" ;
skos:prefLabel "dithianon"@nl .
csc:XQEMNBNCQVQXMO-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:39424 ;
dbo:casNumber "43222-48-6" ;
dbo:formula "C18H20N2O4S" ;
dbo:inchi "InChI=1S/C17H17N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1" ;
dbo:iupacName "1,2-dimethyl-3,5-diphenylpyrazol-1-ium; methyl sulfate"@en ;
dbo:pubchem "39424"^^xsd:int ;
dbo:smiles "CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]" ;
dbp:inchikey "XQEMNBNCQVQXMO-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DfzqtC1ySO4" ;
skos:prefLabel "difenzoquatmethylsulfaat"@nl .
csc:ZOLLIQAKMYWTBR-UDIJVJLMSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5357179 ;
dbo:casNumber "4904-61-4" , "2765-29-9" ;
dbo:formula "C12H18" ;
dbo:inchi "InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8+" ;
dbo:iupacName "(1Z,5E,9Z)-cyclododeca-1,5,9-triene"@en ;
dbo:pubchem "5357179"^^xsd:int ;
dbo:smiles "C1CC=CCCC=CCCC=C1" ;
dbp:inchikey "ZOLLIQAKMYWTBR-UDIJVJLMSA-N" ;
skos:broader csc:CHEMONTID_0002840 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "159ccddcten" ;
skos:prefLabel "1,5,9-cyclododecatrieen"@nl .
csc:TVFDJXOCXUVLDH-OUBTZVSYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335485 ;
dbo:casNumber "13967-70-9" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs/i1+1" ;
dbo:iupacName "cesium-134"@en ;
dbo:pubchem "6335485"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "TVFDJXOCXUVLDH-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs134" ;
skos:prefLabel "cesium 134"@nl .
csc:UTBVIMLZIRIFFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11989 ;
dbo:casNumber "615-22-5" , "64036-43-7" , "31621-01-9" ;
dbo:formula "C8H7NS2" ;
dbo:inchi "InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3" ;
dbo:iupacName "2-methylsulfanyl-1,3-benzothiazole"@en ;
dbo:pubchem "11989"^^xsd:int ;
dbo:smiles "CSC1=NC2=CC=CC=C2S1" ;
dbp:inchikey "UTBVIMLZIRIFFR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ytobztazl" ;
skos:prefLabel "2-methylthiobenzothiazool"@nl .
csc:SBNFWQZLDJGRLK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4767 ;
dbo:casNumber "53528-32-8" , "26002-80-2" , "73170-79-3" ;
dbo:formula "C23H26O3" ;
dbo:inchi "InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3" ;
dbo:iupacName "[3-(phenoxy)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "4767"^^xsd:int ;
dbo:smiles "CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C" ;
dbp:inchikey "SBNFWQZLDJGRLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentn" ;
skos:prefLabel "fenothrin"@nl .
csc:XPKFTIYOZUJAGA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66756 ;
dbo:casNumber "94-85-9" ;
dbo:formula "C10H15NO2" ;
dbo:inchi "InChI=1S/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3" ;
dbo:iupacName "2,5-Diethoxyaniline"@en ;
dbo:pubchem "66756"^^xsd:int ;
dbo:smiles "CCOC1=CC(=C(C=C1)OCC)N" ;
dbp:inchikey "XPKFTIYOZUJAGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC2oxAn" ;
skos:prefLabel "2,5-diethoxyaniline"@nl .
csc:AMCOFRYQNUYHDX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61994 ;
dbo:casNumber "41766-75-0" ;
dbo:formula "C14H18F2N2" ;
dbo:inchi "InChI=1S/C14H16N2.2FH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H" ;
dbo:iupacName "4-(4-amino-3-methylphenyl)-2-methylaniline dihydrofluoride"@en ;
dbo:pubchem "61994"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.F.F" ;
dbp:inchikey "AMCOFRYQNUYHDX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1ybzdnDH" ;
skos:prefLabel "3,3'-dimethylbenzidine dihydrofluoride"@nl .
csc:AUQAUAIUNJIIEP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17592 ;
dbo:casNumber "2686-99-9" ;
dbo:formula "C11H15NO2" ;
dbo:inchi "InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(3,4,5-trimethylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17592"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1C)C)OC(=O)NC" ;
dbp:inchikey "AUQAUAIUNJIIEP-UHFFFAOYSA-N" ;
skos:altLabel "trimethacarb"@nl ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tmtcb" ;
skos:prefLabel "3,4,5-trimethacarb"@nl .
csc:CSEBNABAWMZWIF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:114481 ;
dbo:casNumber "13252-13-6" , "26099-32-1" ;
dbo:formula "C6HF11O3" ;
dbo:inchi "InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)" ;
dbo:iupacName "2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid"@en ;
dbo:pubchem "114481"^^xsd:int ;
dbo:smiles "C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O" ;
dbp:inchikey "CSEBNABAWMZWIF-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-2-propoxypropaanzuur (hfpo-da)"@nl , "perfluor-2-propoxypropaanzuur"@nl , "2,3,3,3-tetrafluor-2(heptafluorpropoxy)propionzuur"@nl ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HFPO-DA" , "FRD-903" ;
skos:prefLabel "2,3,3,3-tetrafluor-2-(heptafluorpropoxy)propionzuur"@nl .
csc:AFOVBPMGZPJPKX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66550 ;
dbo:casNumber "85-07-4" ;
dbo:formula "C13H13NO" ;
dbo:inchi "InChI=1S/C13H13NO/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13(14)15/h2-7H,8H2,1H3,(H2,14,15)" ;
dbo:iupacName "2-(2-methylnaphthalen-1-yl)acetamide"@en ;
dbo:pubchem "66550"^^xsd:int ;
dbo:smiles "CC1=C(C2=CC=CC=C2C=C1)CC(=O)N" ;
dbp:inchikey "AFOVBPMGZPJPKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yntacAd" ;
skos:prefLabel "methylnaftylaceetamide"@nl .
csc:DUBNHZYBDBBJHD-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8722 ;
dbo:casNumber "14459-91-7" , "137-30-4" , "8059-74-3" , "14460-20-9" , "50933-80-7" , "12773-04-5" , "98391-07-2" , "55870-88-7" , "12768-61-5" , "111922-61-3" , "31300-71-7" , "8070-07-3" , "19488-81-4" , "17125-91-6" ;
dbo:formula "C6H12N2S4Zn" ;
dbo:inchi "InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2" ;
dbo:iupacName "zinc dimethylaminomethanedithioate"@en ;
dbo:pubchem "8722"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2]" ;
dbp:inchikey "DUBNHZYBDBBJHD-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0003997 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "zirm" ;
skos:prefLabel "ziram"@nl .
csc:WSLDOOZREJYCGB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl , "VLAR III (D3)"@nl , "VLAR II Art. 5.7.1.4/Art. 5.7.7.1"@nl ;
rdfs:seeAlso compound:11 ;
dbo:casNumber "107-06-2" , "52399-93-6" , "7572-29-4" ;
dbo:formula "C2H4Cl2" ;
dbo:inchi "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" ;
dbo:iupacName "['1,2-dichloroethane', '1,2-dichloroethyne']"@en ;
dbo:pubchem "11"^^xsd:int ;
dbo:smiles "C(CCl)Cl" ;
dbp:inchikey "WSLDOOZREJYCGB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_002 ;
skos:altLabel "1,2-dichloorethaan (edc)"@nl ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_107-06-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DClC2a" ;
skos:prefLabel "1,2-dichloorethaan"@nl ;
vcs:vmmParameterId "319"^^xsd:int .
csc:INGSNVSERUZOAK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86863 ;
dbo:casNumber "19395-41-6" ;
dbo:formula "C13H17NO2" ;
dbo:inchi "InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)" ;
dbo:iupacName "2-phenyl-2-piperidin-2-ylacetic acid"@en ;
dbo:pubchem "86863"^^xsd:int ;
dbo:smiles "C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O" ;
dbp:inchikey "INGSNVSERUZOAK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ritlnzr" ;
skos:prefLabel "ritalinezuur"@nl .
csc:KYYIDSXMWOZKMP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:125017 ;
dbo:casNumber "93413-62-8" ;
dbo:formula "C16H25NO2" ;
dbo:inchi "InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3" ;
dbo:iupacName "4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenol"@en ;
dbo:pubchem "125017"^^xsd:int ;
dbo:smiles "CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O" ;
dbp:inchikey "KYYIDSXMWOZKMP-UHFFFAOYSA-N" ;
skos:altLabel "o-desmethylvenlafaxine"@nl ;
skos:broader csc:CHEMONTID_0002647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desvlfxne" ;
skos:prefLabel "desvenlafaxine"@nl .
csc:CTKINSOISVBQLD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11164 ;
dbo:casNumber "556-52-5" , "98913-54-3" , "61915-27-3" ;
dbo:formula "C3H6O2" ;
dbo:inchi "InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2" ;
dbo:iupacName "oxiran-2-ylmethanol"@en ;
dbo:pubchem "11164"^^xsd:int ;
dbo:smiles "C1C(O1)CO" ;
dbp:inchikey "CTKINSOISVBQLD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycdl" ;
skos:prefLabel "glycidol"@nl .
csc:RMBFBMJGBANMMK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8461 ;
dbo:casNumber "25321-14-6" , "121-14-2" , "1326-41-6" , "185376-54-9" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "['1-Methyl-2,4-dinitrobenzene', 'N,N-dihydroxy-4-methyl-3-nitroaniline']"@en ;
dbo:pubchem "8461"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "RMBFBMJGBANMMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DNO2Tol" ;
skos:prefLabel "2,4-dinitrotolueen"@nl .
csc:UWTUEMKLYAGTNQ-OWOJBTEDSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:637929 ;
dbo:casNumber "25429-23-6" , "590-12-5" , "31389-08-9" ;
dbo:formula "C2H2Br2" ;
dbo:inchi "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1+" ;
dbo:iupacName "['(E)-1,2-Dibromoethene', '1,2-Dibromoethene']"@en ;
dbo:pubchem "637929"^^xsd:int ;
dbo:smiles "C(=CBr)Br" ;
dbp:inchikey "UWTUEMKLYAGTNQ-OWOJBTEDSA-N" ;
skos:broader csc:CHEMONTID_0002864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c12DBrC2e" ;
skos:prefLabel "cis-1,2-dibroometheen"@nl .
csc:CZRQXSDBMCMPNJ-ZUIPZQNBSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5362118 ;
dbo:casNumber "83915-83-7" , "76547-98-3" , "82009-35-6" ;
dbo:formula "C21H35N3O7" ;
dbo:inchi "InChI=1S/C21H31N3O5.2H2O/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;;/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);2*1H2/t16-,17-,18-;;/m0../s1" ;
dbo:iupacName "(2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid dihydrate"@en ;
dbo:pubchem "5362118"^^xsd:int ;
dbo:smiles "C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O.O.O" ;
dbp:inchikey "CZRQXSDBMCMPNJ-ZUIPZQNBSA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lisnpl" ;
skos:prefLabel "lisinopril"@nl .
csc:DROMNWUQASBTFM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6787 ;
dbo:casNumber "84-76-4" , "68515-45-7" , "68648-92-0" ;
dbo:formula "C26H42O4" ;
dbo:inchi "InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3" ;
dbo:iupacName "dinonyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6787"^^xsd:int ;
dbo:smiles "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC" ;
dbp:inchikey "DROMNWUQASBTFM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC9yFt" ;
skos:prefLabel "dinonylftalaat"@nl .
csc:SCYULBFZEHDVBN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6365 ;
dbo:casNumber "75-34-3" ;
dbo:formula "C2H4Cl2" ;
dbo:inchi "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" ;
dbo:iupacName "1,1-DICHLOROETHANE"@en ;
dbo:pubchem "6365"^^xsd:int ;
dbo:smiles "CC(Cl)Cl" ;
dbp:inchikey "SCYULBFZEHDVBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_75-34-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DClC2a" ;
skos:prefLabel "1,1-dichloorethaan"@nl ;
vcs:vmmParameterId "311"^^xsd:int .
csc:JLTDJTHDQAWBAV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:949 ;
dbo:casNumber "168153-21-7" , "121-69-7" , "162744-63-0" , "171745-67-8" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" ;
dbo:iupacName "N,N-dimethylaniline"@en ;
dbo:pubchem "949"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=CC=C1" ;
dbp:inchikey "JLTDJTHDQAWBAV-UHFFFAOYSA-N" ;
skos:altLabel "n,n-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC1yAn" ;
skos:prefLabel "N,N-dimethylaniline"@nl .
csc:ZBCBWPMODOFKDW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:8113 ;
dbo:casNumber "8033-73-6" , "61791-46-6" , "61791-44-4" , "111-42-2" ;
dbo:formula "C4H11NO2" ;
dbo:inchi "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" ;
dbo:iupacName "2-(2-Hydroxyethylamino)ethanol"@en ;
dbo:pubchem "8113"^^xsd:int ;
dbo:smiles "C(CO)NCCO" ;
dbp:inchikey "ZBCBWPMODOFKDW-UHFFFAOYSA-N" ;
skos:altLabel "diethanolamine"@nl , "2,2\uFFFD-iminodiethanol "@nl ;
skos:broader csc:CHEMONTID_0001897 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2olAe" ;
skos:prefLabel "2,2\uFFFD-iminodiethanol"@nl .
csc:JRLPEMVDPFPYPJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12160 ;
dbo:casNumber "622-96-8" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3" ;
dbo:iupacName "1-Ethyl-4-methylbenzene"@en ;
dbo:pubchem "12160"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)C" ;
dbp:inchikey "JRLPEMVDPFPYPJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2yTol" ;
skos:prefLabel "4-ethyltolueen"@nl .
csc:WCUXLLCKKVVCTQ-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4873 ;
dbo:casNumber "7447-40-7" , "126415-35-8" , "12599-00-7" , "59217-68-4" ;
dbo:formula "ClK" ;
dbo:inchi "InChI=1S/ClH.K/h1H;/q;+1/p-1" ;
dbo:iupacName "Potassium chloride"@en ;
dbo:pubchem "4873"^^xsd:int ;
dbo:smiles "[Cl-].[K+]" ;
dbp:inchikey "WCUXLLCKKVVCTQ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000563 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KCl" ;
skos:prefLabel "kaliumchloride"@nl .
csc:GYHFUZHODSMOHU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31289 ;
dbo:casNumber "75718-12-6" , "124-19-6" ;
dbo:formula "C9H18O" ;
dbo:inchi "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3" ;
dbo:iupacName "Nonanal"@en ;
dbo:pubchem "31289"^^xsd:int ;
dbo:smiles "CCCCCCCCC=O" ;
dbp:inchikey "GYHFUZHODSMOHU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C9al" ;
skos:prefLabel "nonanal"@nl .
csc:GZUXJHMPEANEGY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6323 ;
dbo:casNumber "74-83-9" ;
dbo:formula "CH3Br" ;
dbo:inchi "InChI=1S/CH3Br/c1-2/h1H3" ;
dbo:iupacName "Bromomethane"@en ;
dbo:pubchem "6323"^^xsd:int ;
dbo:smiles "CBr" ;
dbp:inchikey "GZUXJHMPEANEGY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_74-83-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrC1a" ;
skos:prefLabel "broommethaan"@nl ;
vcs:vmmParameterId "370"^^xsd:int .
csc:WQNQTJSLPDZSDK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:157337 ;
dbo:casNumber "80475-32-7" ;
dbo:formula "C13H17F13N2O3S" ;
dbo:inchi "InChI=1S/C13H17F13N2O3S/c1-27(2)5-3-6-28(29)32(30,31)7-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h28H,3-7H2,1-2H3" ;
dbo:iupacName "3-dimethylamino-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)propan-1-amine oxide"@en ;
dbo:pubchem "157337"^^xsd:int ;
dbo:smiles "CN(C)CCC[NH+]([O-])S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "WQNQTJSLPDZSDK-UHFFFAOYSA-N" ;
skos:altLabel "N-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide"@nl ;
skos:broader csc:CHEMONTID_0000270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Capstone A (DPOSA)" ;
skos:prefLabel "n-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide"@nl .
csc:FDPIMTJIUBPUKL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7288 ;
dbo:casNumber "96-22-0" ;
dbo:formula "C5H10O" ;
dbo:inchi "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" ;
dbo:iupacName "pentan-3-one"@en ;
dbo:pubchem "7288"^^xsd:int ;
dbo:smiles "CCC(=O)CC" ;
dbp:inchikey "FDPIMTJIUBPUKL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C5on" ;
skos:prefLabel "3-pentanon"@nl .
csc:HPFVBGJFAYZEBE-ZLQWOROUSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:441404 ;
dbo:casNumber "58-20-8" ;
dbo:formula "C27H40O3" ;
dbo:inchi "InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1" ;
dbo:iupacName "[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate"@en ;
dbo:pubchem "441404"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=CC(=O)CCC35C" ;
dbp:inchikey "HPFVBGJFAYZEBE-ZLQWOROUSA-N" ;
skos:broader csc:CHEMONTID_0001691 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "testtrcpont" ;
skos:prefLabel "testosteron cypionaat"@nl .
csc:UWNADWZGEHDQAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11592 ;
dbo:casNumber "592-13-2" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3" ;
dbo:iupacName "2,5-Dimethylhexane"@en ;
dbo:pubchem "11592"^^xsd:int ;
dbo:smiles "CC(C)CCC(C)C" ;
dbp:inchikey "UWNADWZGEHDQAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1yC6a" ;
skos:prefLabel "2,5-dimethylhexaan"@nl .
csc:RTZZCYNQPHTPPL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11137 ;
dbo:casNumber "554-84-7" ;
dbo:formula "C6H5NO3" ;
dbo:inchi "InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H" ;
dbo:iupacName "3-Nitrophenol"@en ;
dbo:pubchem "11137"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)O)[N+](=O)[O-]" ;
dbp:inchikey "RTZZCYNQPHTPPL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000141 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3NO2Fol" ;
skos:prefLabel "3-nitrofenol"@nl .
csc:KLSJWNVTNUYHDU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1639 ;
dbo:casNumber "29212-82-6" , "11121-00-9" , "16681-74-6" , "6051-75-8" , "65312-61-0" , "155-25-9" , "30922-30-6" , "61-82-5" ;
dbo:formula "C2H4N4" ;
dbo:inchi "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" ;
dbo:iupacName "2H-1,2,4-triazol-3-amine"@en ;
dbo:pubchem "1639"^^xsd:int ;
dbo:smiles "C1=NNC(=N1)N" ;
dbp:inchikey "KLSJWNVTNUYHDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amtl" ;
skos:prefLabel "amitrol"@nl .
csc:FWQYJOPJMIEKHZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:94411 ;
dbo:casNumber "30391-89-0" ;
dbo:formula "C10H14N2O" ;
dbo:inchi "InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3,(H,12,13)" ;
dbo:iupacName "2-amino-N-propan-2-ylbenzamide"@en ;
dbo:pubchem "94411"^^xsd:int ;
dbo:smiles "CC(C)NC(=O)C1=CC=CC=C1N" ;
dbp:inchikey "FWQYJOPJMIEKHZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004413 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yantnlAd" ;
skos:prefLabel "isopropylanthranilamide"@nl .
csc:DOOTYTYQINUNNV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6506 ;
dbo:casNumber "77-93-0" ;
dbo:formula "C12H20O7" ;
dbo:inchi "InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3" ;
dbo:iupacName "1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate"@en ;
dbo:pubchem "6506"^^xsd:int ;
dbo:smiles "CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O" ;
dbp:inchikey "DOOTYTYQINUNNV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001986 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2ycitt" ;
skos:prefLabel "triethylcitraat"@nl .
csc:MUBZPKHOEPUJKR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:971 ;
dbo:casNumber "216451-38-6" , "144-62-7" , "2847-15-6" , "97993-78-7" , "63504-28-9" ;
dbo:formula "C2H2O4" ;
dbo:inchi "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)" ;
dbo:iupacName "oxalic acid"@en ;
dbo:pubchem "971"^^xsd:int ;
dbo:smiles "C(=O)(C(=O)O)O" ;
dbp:inchikey "MUBZPKHOEPUJKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxzr" ;
skos:prefLabel "oxaalzuur"@nl .
csc:HCHKCACWOHOZIP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23994 ;
dbo:casNumber "12793-53-2" , "195161-85-4" , "15176-26-8" , "7440-66-6" , "19229-95-9" , "199281-21-5" ;
dbo:formula "Zn" ;
dbo:inchi "InChI=1S/Zn" ;
dbo:iupacName "Zinc"@en ;
dbo:pubchem "23994"^^xsd:int ;
dbo:smiles "[Zn]" ;
dbp:inchikey "HCHKCACWOHOZIP-UHFFFAOYSA-N" ;
skos:altLabel "zink"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7440-66-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Zn" ;
skos:prefLabel "zink, opgelost"@nl ;
vcs:vmmParameterId "205"^^xsd:int , "1983"^^xsd:int , "204"^^xsd:int , "203"^^xsd:int .
csc:WWGQHTJIFOQAOC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13619 ;
dbo:casNumber "933-78-8" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H" ;
dbo:iupacName "2,3,5-TRICHLOROPHENOL"@en ;
dbo:pubchem "13619"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1O)Cl)Cl)Cl" ;
dbp:inchikey "WWGQHTJIFOQAOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002771 ;
skos:exactMatch wise:CAS_933-78-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "235TClFol" ;
skos:prefLabel "2,3,5-trichloorfenol"@nl ;
vcs:vmmParameterId "339"^^xsd:int .
csc:OSOUNOBYRMOXQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7931 ;
dbo:casNumber "108-41-8" ;
dbo:formula "C7H7Cl" ;
dbo:inchi "InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3" ;
dbo:iupacName "1-Chloro-3-methylbenzene"@en ;
dbo:pubchem "7931"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)Cl" ;
dbp:inchikey "OSOUNOBYRMOXQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_108-41-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClTol" ;
skos:prefLabel "3-chloortolueen"@nl ;
vcs:vmmParameterId "359"^^xsd:int .
csc:KZNRNQGTVRTDPN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:32883 ;
dbo:casNumber "95-72-7" , "35442-53-6" ;
dbo:formula "C8H9Cl" ;
dbo:inchi "InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3" ;
dbo:iupacName "2-Chloro-1,4-dimethylbenzene"@en ;
dbo:pubchem "32883"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)Cl" ;
dbp:inchikey "KZNRNQGTVRTDPN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004211 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl14C1yBen" ;
skos:prefLabel "2-chloor-1,4-dimethylbenzeen"@nl .
csc:LYAGTVMJGHTIDH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61198 ;
dbo:casNumber "693-21-0" , "66492-77-1" ;
dbo:formula "C4H8N2O7" ;
dbo:inchi "InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2" ;
dbo:iupacName "2-(2-nitrooxyethoxy)ethyl nitrate"@en ;
dbo:pubchem "61198"^^xsd:int ;
dbo:smiles "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]" ;
dbp:inchikey "LYAGTVMJGHTIDH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yegcDNO3" ;
skos:prefLabel "diethyleenglycoldinitraat"@nl .
csc:NUNQKTCKURIZQX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:40007 ;
dbo:casNumber "51422-54-9" ;
dbo:formula "C8H18O2" ;
dbo:inchi "InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3" ;
dbo:iupacName "2-(2-Ethoxyethoxy)-2-methylpropane"@en ;
dbo:pubchem "40007"^^xsd:int ;
dbo:smiles "CCOCCOC(C)(C)C" ;
dbp:inchikey "NUNQKTCKURIZQX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1tC4ox2C2oxC" ;
skos:prefLabel "1-tert-butoxy-2-ethoxyethaan"@nl .
csc:KKEYFWRCBNTPAC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7489 ;
dbo:casNumber "211863-90-0" , "100-21-0" ;
dbo:formula "C8H6O4" ;
dbo:inchi "InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)" ;
dbo:iupacName "Terephthalic acid"@en ;
dbo:pubchem "7489"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(=O)O)C(=O)O" ;
dbp:inchikey "KKEYFWRCBNTPAC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001108 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terfzr" ;
skos:prefLabel "tereftaalzuur"@nl .
csc:YFSLABAYQDPWPF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:40473 ;
dbo:casNumber "52663-66-8" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-3-7(10(16)9(15)4-5)6-1-2-8(14)12(18)11(6)17/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,3,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40473"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "YFSLABAYQDPWPF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB130" ;
skos:prefLabel "2,2',3,3',4,5'-hexachloorbifenyl"@nl .
csc:GXDHCNNESPLIKD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11582 ;
dbo:casNumber "31394-54-4" , "591-76-4" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" ;
dbo:iupacName "2-Methylhexane"@en ;
dbo:pubchem "11582"^^xsd:int ;
dbo:smiles "CCCCC(C)C" ;
dbp:inchikey "GXDHCNNESPLIKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC6a" ;
skos:prefLabel "2-methylhexaan"@nl .
csc:GUVLYNGULCJVDO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12968 ;
dbo:casNumber "759-94-4" ;
dbo:formula "C9H19NOS" ;
dbo:inchi "InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3" ;
dbo:iupacName "S-ethyl (dipropylamino)methanethioate"@en ;
dbo:pubchem "12968"^^xsd:int ;
dbo:smiles "CCCN(CCC)C(=O)SCC" ;
dbp:inchikey "GUVLYNGULCJVDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EPTC" ;
skos:prefLabel "ethyldipropylthiocarbamaat"@nl .
csc:SECPZKHBENQXJG-BQYQJAHWSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282745 ;
dbo:casNumber "10030-73-6" , "2091-29-4" ;
dbo:formula "C16H30O2" ;
dbo:inchi "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+" ;
dbo:iupacName "['(E)-hexadec-9-enoic acid', 'hexadec-9-enoic acid']"@en ;
dbo:pubchem "5282745"^^xsd:int ;
dbo:smiles "CCCCCCC=CCCCCCCCC(=O)O" ;
dbp:inchikey "SECPZKHBENQXJG-BQYQJAHWSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9C16ezr" ;
skos:prefLabel "9-hexadeceenzuur"@nl .
csc:QKLPUVXBJHRFQZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66890 ;
dbo:casNumber "27890-59-1" , "102-65-8" ;
dbo:formula "C10H9ClN4O2S" ;
dbo:inchi "InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)" ;
dbo:iupacName "4-amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide"@en ;
dbo:pubchem "66890"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)S(=O)(=O)NC2=CN=CC(=N2)Cl" ;
dbp:inchikey "QKLPUVXBJHRFQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sulfaclozine"@nl .
csc:ATBAMAFKBVZNFJ-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335489 ;
dbo:casNumber "13966-02-4" ;
dbo:formula "Be" ;
dbo:inchi "InChI=1S/Be/i1-2" ;
dbo:iupacName "beryllium-7"@en ;
dbo:pubchem "6335489"^^xsd:int ;
dbo:smiles "[Be]" ;
dbp:inchikey "ATBAMAFKBVZNFJ-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Be7" ;
skos:prefLabel "beryllium 7"@nl .
csc:XOGYQVITULCUGU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12469 ;
dbo:casNumber "634-91-3" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2" ;
dbo:iupacName "3,4,5-TRICHLOROANILINE"@en ;
dbo:pubchem "12469"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)N" ;
dbp:inchikey "XOGYQVITULCUGU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "345TClAn" ;
skos:prefLabel "3,4,5-trichlooraniline"@nl .
csc:QCAHVKJGHYVLIS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77407 ;
dbo:casNumber "3776-30-5" ;
dbo:formula "C6H6Cl4O" ;
dbo:inchi "InChI=1S/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H2" ;
dbo:iupacName "2,2,6,6-Tetrachlorocyclohexan-1-one"@en ;
dbo:pubchem "77407"^^xsd:int ;
dbo:smiles "C1CC(C(=O)C(C1)(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "QCAHVKJGHYVLIS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004809 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2266T4ClccC6" ;
skos:prefLabel "2,2,6,6-tetrachloorcyclohexanon"@nl .
csc:INYDMNPNDHRJQJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11883 ;
dbo:casNumber "610-39-9" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "4-Methyl-1,2-dinitrobenzene"@en ;
dbo:pubchem "11883"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "INYDMNPNDHRJQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DNO2Tol" ;
skos:prefLabel "3,4-dinitrotolueen"@nl .
csc:MPPOHAUSNPTFAJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86134 ;
dbo:casNumber "73519-55-8" , "108093-88-5" , "95617-09-7" , "113158-40-0" ;
dbo:formula "C16H12ClNO5" ;
dbo:inchi "InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)" ;
dbo:iupacName "2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid"@en ;
dbo:pubchem "86134"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" ;
dbp:inchikey "MPPOHAUSNPTFAJ-UHFFFAOYSA-N" ;
skos:altLabel "fenoxaprop-P"@nl ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenoxppP" ;
skos:prefLabel "fenoxaprop-p"@nl .
csc:HYTRYEXINDDXJK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11265 ;
dbo:casNumber "565-69-5" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3" ;
dbo:iupacName "2-Methylpentan-3-one"@en ;
dbo:pubchem "11265"^^xsd:int ;
dbo:smiles "CCC(=O)C(C)C" ;
dbp:inchikey "HYTRYEXINDDXJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y3C5on" ;
skos:prefLabel "2-methyl-3-pentanon"@nl .
csc:JLEKLYQXZHJOTQ-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:45489782 ;
dbo:casNumber "55589-62-3" , "33665-90-6" ;
dbo:formula "C4H4KNO4S" ;
dbo:inchi "InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6,7,8);/q;+1/p-1" ;
dbo:iupacName "['potassium 6-methyl-2,2-dioxooxathiazin-4-olate', 'potassium 6-methyl-2,2-dioxo-1-oxa-2$l^{6}-thia-3-azanidacyclohex-5-en-4-one']"@en ;
dbo:pubchem "45489782"^^xsd:int ;
dbo:smiles "CC1=CC(=O)N=S(=O)(O1)[O-].[K+]" ;
dbp:inchikey "JLEKLYQXZHJOTQ-UHFFFAOYSA-M" ;
skos:altLabel "acesulfaam"@nl , "acesulfame K"@nl ;
skos:broader csc:CHEMONTID_0000265 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acsfm" , "acsfmeK" ;
skos:prefLabel "acesulfame k"@nl .
csc:FRPZMMHWLSIFAZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5634 ;
dbo:casNumber "1333-28-4" , "112-38-9" ;
dbo:formula "C11H20O2" ;
dbo:inchi "InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)" ;
dbo:iupacName "Undec-10-enoic acid"@en ;
dbo:pubchem "5634"^^xsd:int ;
dbo:smiles "C=CCCCCCCCCC(=O)O" ;
dbp:inchikey "FRPZMMHWLSIFAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C11ezr" ;
skos:prefLabel "undeceenzuur"@nl .
csc:MYMOFIZGZYHOMD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:977 ;
dbo:casNumber "7782-44-7" , "80217-98-7" , "58238-79-2" , "1338-93-8" , "80937-33-3" , "12185-07-8" , "14797-70-7" ;
dbo:formula "O2" ;
dbo:inchi "InChI=1S/O2/c1-2" ;
dbo:iupacName "Molecular oxygen"@en ;
dbo:pubchem "977"^^xsd:int ;
dbo:smiles "O=O" ;
dbp:inchikey "MYMOFIZGZYHOMD-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "zuurstof"@nl , "Zuurstof (O2)"@nl , "zuurstof (o2)"@nl ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "O2" ;
skos:prefLabel "zuurstof, opgeloste"@nl .
csc:QQONPFPTGQHPMA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8252 ;
dbo:casNumber "115-07-1" , "33004-01-2" , "676-63-1" ;
dbo:formula "C3H6" ;
dbo:inchi "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" ;
dbo:iupacName "prop-1-ene"@en ;
dbo:pubchem "8252"^^xsd:int ;
dbo:smiles "CC=C" ;
dbp:inchikey "QQONPFPTGQHPMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3e" ;
skos:prefLabel "1-propeen"@nl .
csc:IJJVMEJXYNJXOJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86417 ;
dbo:casNumber "136426-54-5" ;
dbo:formula "C16H8Cl2FN5O" ;
dbo:inchi "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" ;
dbo:iupacName "3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one"@en ;
dbo:pubchem "86417"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C1F)C(=O)N(C(=N2)N3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl" ;
dbp:inchikey "IJJVMEJXYNJXOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluqcnzl" ;
skos:prefLabel "fluquinconazool"@nl .
csc:WSWCOQWTEOXDQX-MQQKCMAXSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:643460 ;
dbo:casNumber "22500-92-1" , "91751-55-2" , "110-44-1" , "5309-56-8" ;
dbo:formula "C6H8O2" ;
dbo:inchi "InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+" ;
dbo:iupacName "['Hexa-2,4-dienoic acid', '(4E)-hexa-2,4-dienoic acid']"@en ;
dbo:pubchem "643460"^^xsd:int ;
dbo:smiles "CC=CC=CC(=O)O" ;
dbp:inchikey "WSWCOQWTEOXDQX-MQQKCMAXSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sorbnzr" ;
skos:prefLabel "sorbinezuur"@nl .
csc:YFBPRJGDJKVWAH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16248 ;
dbo:casNumber "2032-65-7" , "716-16-5" ;
dbo:formula "C11H15NO2S" ;
dbo:inchi "InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "16248"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1SC)C)OC(=O)NC" ;
dbp:inchikey "YFBPRJGDJKVWAH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:exactMatch wise:CAS_2032-65-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metocb" ;
skos:prefLabel "methiocarb"@nl ;
vcs:vmmParameterId "1025"^^xsd:int .
csc:ZDHYERRNXRANLI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:19578 ;
dbo:casNumber "3761-42-0" ;
dbo:formula "C10H15O5PS2" ;
dbo:inchi "InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3" ;
dbo:iupacName "dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "19578"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)(=O)C" ;
dbp:inchikey "ZDHYERRNXRANLI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentosfn" ;
skos:prefLabel "fenthion-sulfon"@nl .
csc:UPGTYLFCVNHBTN-XMLQVSDQSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6441561 ;
dbo:casNumber "34347-28-9" , "136897-21-7" , "137760-64-6" , "6810-14-6" , "70755-51-0" , "566-89-2" ;
dbo:formula "C27H44O" ;
dbo:inchi "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-9,18-19,21-25,28H,7,10-17H2,1-5H3/b8-6+/t19-,21+,22+,23?,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "6441561"^^xsd:int ;
dbo:smiles "CC(C)CC=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C" ;
dbp:inchikey "UPGTYLFCVNHBTN-XMLQVSDQSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chol522Den3b" ;
skos:prefLabel "cholesta-5,22-dien-3-beta-ol"@nl .
csc:RAGOYPUPXAKGKH-XAKZXMRKSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:468595 ;
dbo:casNumber "171228-49-2" ;
dbo:formula "C37H42F2N8O4" ;
dbo:inchi "InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1" ;
dbo:iupacName "4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one"@en ;
dbo:pubchem "468595"^^xsd:int ;
dbo:smiles "CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F" ;
dbp:inchikey "RAGOYPUPXAKGKH-XAKZXMRKSA-N" ;
skos:broader csc:CHEMONTID_0001984 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "poscnzl" ;
skos:prefLabel "posaconazol"@nl .
csc:UMGXUWVIJIQANV-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16957 ;
dbo:casNumber "20256-56-8" , "2390-68-3" ;
dbo:formula "C22H48BrN" ;
dbo:inchi "InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "didecyl-dimethylazanium bromide"@en ;
dbo:pubchem "16957"^^xsd:int ;
dbo:smiles "CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]" ;
dbp:inchikey "UMGXUWVIJIQANV-UHFFFAOYSA-M" ;
skos:altLabel "didecyldimethylammonium"@nl ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DDMAB" ;
skos:prefLabel "didecyldimethylammoniumbromide"@nl .
csc:REDXJYDRNCIFBQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104727 ;
dbo:casNumber "22537-23-1" ;
dbo:formula "Al+3" ;
dbo:inchi "InChI=1S/Al/q+3" ;
dbo:iupacName "aluminum(+3) cation"@en ;
dbo:pubchem "104727"^^xsd:int ;
dbo:smiles "[Al+3]" ;
dbp:inchikey "REDXJYDRNCIFBQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AlIII" ;
skos:prefLabel "aluminium (driewaardig)"@nl .
csc:JFIMDKGRGPNPRQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38411 ;
dbo:casNumber "53742-07-7" , "40186-72-9" , "55684-91-8" ;
dbo:formula "C12HCl9" ;
dbo:inchi "InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,4,5-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "38411"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "JFIMDKGRGPNPRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB206" ;
skos:prefLabel "2,2',3,3',4,4',5,5',6-nonachloorbifenyl"@nl .
csc:VMUNAKQXJLHODT-VAWYXSNFSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5283363 ;
dbo:casNumber "7069-41-2" , "7774-82-5" ;
dbo:formula "C13H24O" ;
dbo:inchi "InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3/b12-11+" ;
dbo:iupacName "['tridec-2-enal', '(E)-tridec-2-enal']"@en ;
dbo:pubchem "5283363"^^xsd:int ;
dbo:smiles "CCCCCCCCCCC=CC=O" ;
dbp:inchikey "VMUNAKQXJLHODT-VAWYXSNFSA-N" ;
skos:broader csc:CHEMONTID_0000298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C10yacline" ;
skos:prefLabel "3-decylacroleine"@nl .
csc:GRWFGVWFFZKLTI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6654 ;
dbo:casNumber "103657-08-5" , "72510-05-5" , "25766-18-1" , "2437-95-8" , "53569-35-0" , "67762-73-6" , "80-56-8" , "56833-58-0" , "57762-87-5" , "68411-25-6" , "50815-61-7" , "39423-40-0" , "39388-04-0" , "102640-64-2" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" ;
dbo:iupacName "4,7,7-trimethylbicyclo[3.1.1]hept-3-ene"@en ;
dbo:pubchem "6654"^^xsd:int ;
dbo:smiles "CC1=CCC2CC1C2(C)C" ;
dbp:inchikey "GRWFGVWFFZKLTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "apnn" ;
skos:prefLabel "alfa-pineen"@nl .
csc:UIWYJDYFSGRHKR-AHCXROLUSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:161049 ;
dbo:casNumber "14276-65-4" ;
dbo:formula "Gd" ;
dbo:inchi "InChI=1S/Gd/i1-4" ;
dbo:iupacName "gadolinium-153"@en ;
dbo:pubchem "161049"^^xsd:int ;
dbo:smiles "[Gd]" ;
dbp:inchikey "UIWYJDYFSGRHKR-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Gd153" ;
skos:prefLabel "gadolinium 153"@nl .
csc:PVLKQJLDEXCKNY-JYLPYTDFSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6321393 ;
dbo:casNumber "6459-94-5" , "25317-45-7" ;
dbo:formula "C37H28N4Na2O10S3" ;
dbo:inchi "InChI=1S/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,40H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38?,41-37-;;" ;
dbo:iupacName "disodium (8E)-8-[[2-methyl-4-[3-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]diazenylphenyl]phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonate"@en ;
dbo:pubchem "6321393"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=C5C(=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+]" ;
dbp:inchikey "PVLKQJLDEXCKNY-JYLPYTDFSA-L" ;
skos:altLabel "c.i. acid red 114"@nl ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ciard114" ;
skos:prefLabel "C.I. Acid Red 114"@nl .
csc:JOATXPAWOHTVSZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2663 ;
dbo:casNumber "56980-93-9" ;
dbo:formula "C20H33N3O4" ;
dbo:inchi "InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)" ;
dbo:iupacName "3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea"@en ;
dbo:pubchem "2663"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C" ;
dbp:inchikey "JOATXPAWOHTVSZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "celpll" ;
skos:prefLabel "celiprolol"@nl .
csc:NATWUQFQFMZVMT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14110 ;
dbo:casNumber "1077-56-1" ;
dbo:formula "C9H13NO2S" ;
dbo:inchi "InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3" ;
dbo:iupacName "N-Ethyl-2-methylbenzenesulfonamide"@en ;
dbo:pubchem "14110"^^xsd:int ;
dbo:smiles "CCNS(=O)(=O)C1=CC=CC=C1C" ;
dbp:inchikey "NATWUQFQFMZVMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2y2C1yBensf" ;
skos:prefLabel "ethyl-2-methylbenzeensulfonamide"@nl .
csc:QYMMJNLHFKGANY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38779 ;
dbo:casNumber "61287-51-2" , "61230-42-0" , "81116-98-5" , "41198-08-7" , "81123-19-5" ;
dbo:formula "C11H15BrClO3PS" ;
dbo:inchi "InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3" ;
dbo:iupacName "4-bromo-2-chloro-1-(ethoxy-propylsulfanylphosphoryl)oxybenzene"@en ;
dbo:pubchem "38779"^^xsd:int ;
dbo:smiles "CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl" ;
dbp:inchikey "QYMMJNLHFKGANY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "profnfs" ;
skos:prefLabel "profenofos"@nl .
csc:DXBHBZVCASKNBY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II (D2) 'benzo(a)antraceen'"@nl ;
rdfs:seeAlso compound:5954 ;
dbo:casNumber "56-55-3" ;
dbo:formula "C18H12" ;
dbo:inchi "InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H" ;
dbo:iupacName "Benzo[a]anthracene"@en ;
dbo:pubchem "5954"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32" ;
dbp:inchikey "DXBHBZVCASKNBY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "benz(a)anthraceen"@nl , "benzo(a)antra-ceen"@nl , "benzo(a)antraceen"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:exactMatch wise:CAS_56-55-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BaA" ;
skos:prefLabel "benzo(a)anthraceen"@nl ;
vcs:vmmParameterId "1422"^^xsd:int , "420"^^xsd:int .
csc:ZVQXQPNJHRNGID-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18745 ;
dbo:casNumber "3333-52-6" ;
dbo:formula "C8H12N2" ;
dbo:inchi "InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3" ;
dbo:iupacName "2,2,3,3-Tetramethylbutanedinitrile"@en ;
dbo:pubchem "18745"^^xsd:int ;
dbo:smiles "CC(C)(C#N)C(C)(C)C#N" ;
dbp:inchikey "ZVQXQPNJHRNGID-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1yC4aDntl" ;
skos:prefLabel "tetramethylbutaandinitril"@nl .
csc:HPXRVTGHNJAIIH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7966 ;
dbo:casNumber "108-93-0" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" ;
dbo:iupacName "Cyclohexanol"@en ;
dbo:pubchem "7966"^^xsd:int ;
dbo:smiles "C1CCC(CC1)O" ;
dbp:inchikey "HPXRVTGHNJAIIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC6ol" ;
skos:prefLabel "cyclohexanol"@nl .
csc:GXNNLIMMEXHBKV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38012 ;
dbo:casNumber "38379-99-6" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16)12(11)17/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-3-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "38012"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "GXNNLIMMEXHBKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB95" ;
skos:prefLabel "2,2',3,5',6-pentachloorbifenyl"@nl .
csc:ZXQYGBMAQZUVMI-QQDHXZELSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6435500 ;
dbo:casNumber "91465-08-6" ;
dbo:formula "C23H19ClF3NO3" ;
dbo:inchi "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18?,20-/m0/s1" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "6435500"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C" ;
dbp:inchikey "ZXQYGBMAQZUVMI-QQDHXZELSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lcyhltn" ;
skos:prefLabel "lambda-cyhalothrin"@nl .
csc:CVRALZAYCYJELZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:30709 ;
dbo:casNumber "73307-66-1" , "73307-67-2" , "73270-49-2" , "21609-90-5" ;
dbo:formula "C13H10BrCl2O2PS" ;
dbo:inchi "InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3" ;
dbo:iupacName "(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "30709"^^xsd:int ;
dbo:smiles "COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl" ;
dbp:inchikey "CVRALZAYCYJELZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004767 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "leptfs" ;
skos:prefLabel "leptofos"@nl .
csc:RJKCKKDSSSRYCB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:92299 ;
dbo:casNumber "35256-85-0" ;
dbo:formula "C15H23NO" ;
dbo:inchi "InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" ;
dbo:iupacName "2,2-dimethyl-N-(phenylmethyl)-N-propan-2-ylpropanamide"@en ;
dbo:pubchem "92299"^^xsd:int ;
dbo:smiles "CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C" ;
dbp:inchikey "RJKCKKDSSSRYCB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebtm" ;
skos:prefLabel "tebutam"@nl .
csc:KSMVNVHUTQZITP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:39929 ;
dbo:casNumber "51207-31-9" ;
dbo:formula "C12H4Cl4O" ;
dbo:inchi "InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H" ;
dbo:iupacName "2,3,7,8-TETRACHLORODIBENZOFURAN"@en ;
dbo:pubchem "39929"^^xsd:int ;
dbo:smiles "C1=C2C3=CC(=C(C=C3OC2=CC(=C1Cl)Cl)Cl)Cl" ;
dbp:inchikey "KSMVNVHUTQZITP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,7,8-tetrachloordibenzofuran"@nl , " 2,3,7,8-tetrachloordibenzofuraan"@nl , "2,3,7,8-tetrachloordibenzofuraan (tecdf)"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_51207-31-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF83" ;
skos:prefLabel "2,3,7,8-tetrachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1237"^^xsd:int .
csc:KXDAEFPNCMNJSK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2331 ;
dbo:casNumber "27208-38-4" , "55-21-0" ;
dbo:formula "C7H7NO" ;
dbo:inchi "InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)" ;
dbo:iupacName "Benzamide"@en ;
dbo:pubchem "2331"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)N" ;
dbp:inchikey "KXDAEFPNCMNJSK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000178 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzAd" ;
skos:prefLabel "benzamide"@nl .
csc:SQNZJJAZBFDUTD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7269 ;
dbo:casNumber "95-93-2" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3" ;
dbo:iupacName "1,2,4,5-Tetramethylbenzene"@en ;
dbo:pubchem "7269"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1C)C)C" ;
dbp:inchikey "SQNZJJAZBFDUTD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1245T4C1yBen" ;
skos:prefLabel "1,2,4,5-tetramethylbenzeen"@nl .
csc:WRYLYDPHFGVWKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11230 ;
dbo:casNumber "28219-82-1" , "1336-05-6" , "562-74-3" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3" ;
dbo:iupacName "4-methyl-1-propan-2-ylcyclohex-3-en-1-ol"@en ;
dbo:pubchem "11230"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1)(C(C)C)O" ;
dbp:inchikey "WRYLYDPHFGVWKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4terpnol" ;
skos:prefLabel "4-terpineol"@nl .
csc:OCJYIGYOJCODJL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4034 ;
dbo:casNumber "569-65-3" ;
dbo:formula "C25H27ClN2" ;
dbo:inchi "InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3" ;
dbo:iupacName "1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine"@en ;
dbo:pubchem "4034"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl" ;
dbp:inchikey "OCJYIGYOJCODJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "meczne" ;
skos:prefLabel "meclozine"@nl .
csc:QYEGXUUXWMKHHS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:36093 ;
dbo:casNumber "26444-37-1" , "58863-15-3" , "32241-08-0" ;
dbo:formula "C10HCl7" ;
dbo:inchi "InChI=1S/C10HCl7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5)15/h1H" ;
dbo:iupacName "1,2,3,4,5,6,8-Heptachloronaphthalene"@en ;
dbo:pubchem "36093"^^xsd:int ;
dbo:smiles "C1=C(C2=C(C(=C1Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "QYEGXUUXWMKHHS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004794 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HpClNaf" ;
skos:prefLabel "heptachloornaftaleen"@nl .
csc:JSFITYFUKSFPBZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:338733 ;
dbo:casNumber "84852-15-3" , "24518-48-7" ;
dbo:formula "C15H24O" ;
dbo:inchi "InChI=1S/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3" ;
dbo:iupacName "4-(7-methyloctyl)phenol"@en ;
dbo:pubchem "338733"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCC1=CC=C(C=C1)O" ;
dbp:inchikey "JSFITYFUKSFPBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004646 ;
skos:exactMatch wise:CAS_84852-15-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "s4C9yFol" ;
skos:prefLabel "som 4-nonylfenol-isomeren (vertakt)"@nl ;
vcs:vmmParameterId "972"^^xsd:int .
csc:ZFIVKAOQEXOYFY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11254 ;
dbo:casNumber "298-18-0" , "1464-53-5" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2" ;
dbo:iupacName "2-(oxiran-2-yl)oxirane"@en ;
dbo:pubchem "11254"^^xsd:int ;
dbo:smiles "C1C(O1)C2CO2" ;
dbp:inchikey "ZFIVKAOQEXOYFY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DepOxC4a" ;
skos:prefLabel "diepoxybutaan"@nl .
csc:YIKSCQDJHCMVMK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10113 ;
dbo:casNumber "4745-68-0" , "471-46-5" ;
dbo:formula "C2H4N2O2" ;
dbo:inchi "InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)" ;
dbo:iupacName "OXAMIDE"@en ;
dbo:pubchem "10113"^^xsd:int ;
dbo:smiles "C(=O)(C(=O)N)N" ;
dbp:inchikey "YIKSCQDJHCMVMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OaAd" ;
skos:prefLabel "oxamide"@nl .
csc:VHOVSQVSAAQANU-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62781 ;
dbo:casNumber "24307-26-4" , "15302-91-7" ;
dbo:formula "C7H16ClN" ;
dbo:inchi "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" ;
dbo:iupacName "1,1-dimethylpiperidin-1-ium chloride"@en ;
dbo:pubchem "62781"^^xsd:int ;
dbo:smiles "C[N+]1(CCCCC1)C.[Cl-]" ;
dbp:inchikey "VHOVSQVSAAQANU-UHFFFAOYSA-M" ;
skos:altLabel "mepiquat"@nl ;
skos:broader csc:CHEMONTID_0000195 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mepqat" , "mepqCl" ;
skos:prefLabel "mepiquatchloride"@nl .
csc:PXWUKZGIHQRDHL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15359 ;
dbo:casNumber "1610-17-9" ;
dbo:formula "C9H17N5O" ;
dbo:inchi "InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)" ;
dbo:iupacName "N'-ethyl-6-methoxy-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "15359"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)OC)NC(C)C" ;
dbp:inchikey "PXWUKZGIHQRDHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "attn" ;
skos:prefLabel "atraton"@nl .
csc:YFSUTJLHUFNCNZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74483 ;
dbo:casNumber "132324-11-9" , "1763-23-1" ;
dbo:formula "C8HF17O3S" ;
dbo:inchi "InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid"@en ;
dbo:pubchem "74483"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "YFSUTJLHUFNCNZ-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-octaansulfonzuur"@nl , "perfluoroctaansul-fonzuur en zijn derivaten (pfos)"@nl , "perfluoroctaansulfonzuur (lineair)"@nl ;
skos:broader csc:CHEMONTID_0003960 ;
skos:exactMatch wise:CAS_1763-23-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOS" ;
skos:prefLabel "perfluoroctaansulfonzuur (pfos)"@nl ;
vcs:vmmParameterId "2132"^^xsd:int , "1044"^^xsd:int , "2133"^^xsd:int .
csc:LGBAGUMSAPUZPU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:175686 ;
dbo:casNumber "96507-86-7" ;
dbo:formula "C30H50O4" ;
dbo:inchi "InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3" ;
dbo:iupacName "bis(9-methyldecyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "175686"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C" ;
dbp:inchikey "LGBAGUMSAPUZPU-UHFFFAOYSA-N" ;
skos:altLabel "di-isoundecylftalaat (mix van isomeren)"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC11yFt" ;
skos:prefLabel "diisoundecylftalaat"@nl .
csc:UVCOILFBWYKHHB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4540 ;
dbo:casNumber "2886-65-9" ;
dbo:formula "C15H10ClFN2O" ;
dbo:inchi "InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)" ;
dbo:iupacName "7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "4540"^^xsd:int ;
dbo:smiles "C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F" ;
dbp:inchikey "UVCOILFBWYKHHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norfDazpm" ;
skos:prefLabel "norfludiazepam"@nl .
csc:QFMJFXFXQAFGBO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66793 ;
dbo:casNumber "96-96-8" ;
dbo:formula "C7H8N2O3" ;
dbo:inchi "InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3" ;
dbo:iupacName "4-Methoxy-2-nitroaniline"@en ;
dbo:pubchem "66793"^^xsd:int ;
dbo:smiles "COC1=CC(=C(C=C1)N)[N+](=O)[O-]" ;
dbp:inchikey "QFMJFXFXQAFGBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1ox2NO2An" ;
skos:prefLabel "4-methoxy-2-nitroaniline"@nl .
csc:HGUFODBRKLSHSI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:15625 ;
dbo:casNumber "56795-67-6" , "1746-01-6" ;
dbo:formula "C12H4Cl4O2" ;
dbo:inchi "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H" ;
dbo:iupacName "2,3,7,8-tetrachlorooxanthrene"@en ;
dbo:pubchem "15625"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl" ;
dbp:inchikey "HGUFODBRKLSHSI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,7,8-tetrachloordibenzodioxine"@nl , " 2,3,7,8-tetrachloordibenzodioxine"@nl , "2,3,7,8-tetrachloordibenzodioxine (tcdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_1746-01-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD48" ;
skos:prefLabel "2,3,7,8-tetrachloordibenzo-p-dioxine"@nl ;
vcs:vmmParameterId "341"^^xsd:int .
csc:OXQHJIGWZNIQDS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:137941 ;
dbo:casNumber "3453-99-4" ;
dbo:formula "C6H14O2" ;
dbo:inchi "InChI=1S/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3" ;
dbo:iupacName "2,2-Dimethoxybutane"@en ;
dbo:pubchem "137941"^^xsd:int ;
dbo:smiles "CCC(C)(OC)OC" ;
dbp:inchikey "OXQHJIGWZNIQDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DC1oxC4a" ;
skos:prefLabel "2,2-dimethoxybutaan"@nl .
csc:XGQJZNCFDLXSIJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17697 ;
dbo:casNumber "2765-11-9" ;
dbo:formula "C15H30O" ;
dbo:inchi "InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3" ;
dbo:iupacName "Pentadecanal"@en ;
dbo:pubchem "17697"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCC=O" ;
dbp:inchikey "XGQJZNCFDLXSIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C15al" ;
skos:prefLabel "pentadecanal"@nl .
csc:XAUGWFWQVYXATQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74296 ;
dbo:casNumber "1678-25-7" ;
dbo:formula "C12H11NO2S" ;
dbo:inchi "InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H" ;
dbo:iupacName "N-Phenylbenzenesulfonamide"@en ;
dbo:pubchem "74296"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2" ;
dbp:inchikey "XAUGWFWQVYXATQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bensfanlde" ;
skos:prefLabel "benzeensulfonanilide"@nl .
csc:CKPWHXBGVRURFU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:97768 ;
dbo:casNumber "3369-52-6" ;
dbo:formula "C9H6Cl6O" ;
dbo:inchi "InChI=1S/C9H6Cl6O/c10-5-6(11)8(13)4-2-16-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2" ;
dbo:iupacName "1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene"@en ;
dbo:pubchem "97768"^^xsd:int ;
dbo:smiles "C1C2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "CKPWHXBGVRURFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002648 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endsfetr" ;
skos:prefLabel "endosulfanether"@nl .
csc:HCHKCACWOHOZIP-IGMARMGPSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91574 ;
dbo:casNumber "13982-39-3" ;
dbo:formula "Zn" ;
dbo:inchi "InChI=1S/Zn/i1+0" ;
dbo:iupacName "zinc-65"@en ;
dbo:pubchem "91574"^^xsd:int ;
dbo:smiles "[Zn]" ;
dbp:inchikey "HCHKCACWOHOZIP-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Zn65" ;
skos:prefLabel "zink 65"@nl .
csc:OFCFYWOKHPOXKF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6621 ;
dbo:casNumber "80-00-2" , "8012-45-1" ;
dbo:formula "C12H9ClO2S" ;
dbo:inchi "InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H" ;
dbo:iupacName "1-chloro-4-phenylsulfonylbenzene"@en ;
dbo:pubchem "6621"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "OFCFYWOKHPOXKF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClFyFysfn" ;
skos:prefLabel "4-chloorfenyl fenylsulfon"@nl .
csc:SXRSQZLOMIGNAQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3485 ;
dbo:casNumber "37245-61-7" , "107950-89-0" , "111-30-8" , "79215-57-9" , "29257-65-6" ;
dbo:formula "C5H8O2" ;
dbo:inchi "InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2" ;
dbo:iupacName "Pentanedial"@en ;
dbo:pubchem "3485"^^xsd:int ;
dbo:smiles "C(CC=O)CC=O" ;
dbp:inchikey "SXRSQZLOMIGNAQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glutAh" ;
skos:prefLabel "glutaaraldehyde"@nl .
csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'"@nl , "VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'"@nl , "VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'"@nl , "VLAR III (D3, diverse art) 'Sn'"@nl ;
rdfs:seeAlso compound:5352426 ;
dbo:casNumber "7440-31-5" ;
dbo:formula "Sn" ;
dbo:inchi "InChI=1S/Sn" ;
dbo:iupacName "TIN"@en ;
dbo:pubchem "5352426"^^xsd:int ;
dbo:smiles "[Sn]" ;
dbp:inchikey "ATJFFYVFTNAWJD-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "tin (sn)"@nl , "tin, opgelost"@nl , "Tin (Sn)"@nl ;
skos:broader csc:CHEMONTID_0000427 ;
skos:definition "tin en tinverbindingen, uitgedrukt als tin (Sn)"@nl ;
skos:exactMatch wise:CAS_7440-31-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sn" ;
skos:prefLabel "tin"@nl ;
vcs:vmmParameterId "192"^^xsd:int , "191"^^xsd:int , "193"^^xsd:int , "1969"^^xsd:int .
csc:HOQADATXFBOEGG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:32872 ;
dbo:casNumber "25311-71-1" , "103982-07-6" , "61711-63-5" , "103982-06-5" , "52907-24-1" ;
dbo:formula "C15H24NO4PS" ;
dbo:inchi "InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)" ;
dbo:iupacName "propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate"@en ;
dbo:pubchem "32872"^^xsd:int ;
dbo:smiles "CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C" ;
dbp:inchikey "HOQADATXFBOEGG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iffs" ;
skos:prefLabel "isofenfos"@nl .
csc:HYVWIQDYBVKITD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12898 ;
dbo:casNumber "731-27-1" ;
dbo:formula "C10H13Cl2FN2O2S2" ;
dbo:inchi "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" ;
dbo:iupacName "N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline"@en ;
dbo:pubchem "12898"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" ;
dbp:inchikey "HYVWIQDYBVKITD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tolfande" ;
skos:prefLabel "tolylfluanide"@nl .
csc:GIBQERSGRNPMEH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6949 ;
dbo:casNumber "88-84-6" , "34766-41-1" ;
dbo:formula "C15H24" ;
dbo:inchi "InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3" ;
dbo:iupacName "1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene"@en ;
dbo:pubchem "6949"^^xsd:int ;
dbo:smiles "CC1CCC(=C(C)C)CC2=C1CCC2C" ;
dbp:inchikey "GIBQERSGRNPMEH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "guaiene" ;
skos:prefLabel "guaiene"@nl .
csc:MSXVEPNJUHWQHW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6405 ;
dbo:casNumber "75-85-4" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" ;
dbo:iupacName "2-Methylbutan-2-ol"@en ;
dbo:pubchem "6405"^^xsd:int ;
dbo:smiles "CCC(C)(C)O" ;
dbp:inchikey "MSXVEPNJUHWQHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y2C4ol" ;
skos:prefLabel "2-methyl-2-butanol"@nl .
csc:XRHGWAGWAHHFLF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39223 ;
dbo:casNumber "65357-77-9" , "42509-80-8" , "57425-06-6" ;
dbo:formula "C9H17ClN3O3PS" ;
dbo:inchi "InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3" ;
dbo:iupacName "(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "39223"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C" ;
dbp:inchikey "XRHGWAGWAHHFLF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004623 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iszfs" ;
skos:prefLabel "isazofos"@nl .
csc:HNZUNIKWNYHEJJ-FMIVXFBMSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1549778 ;
dbo:casNumber "689-67-8" , "3796-70-1" , "68228-05-7" ;
dbo:formula "C13H22O" ;
dbo:inchi "InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+" ;
dbo:iupacName "['(5E)-6,10-dimethylundeca-5,9-dien-2-one', '6,10-Dimethylundeca-5,9-dien-2-one']"@en ;
dbo:pubchem "1549778"^^xsd:int ;
dbo:smiles "CC(=CCCC(=CCCC(=O)C)C)C" ;
dbp:inchikey "HNZUNIKWNYHEJJ-FMIVXFBMSA-N" ;
skos:broader csc:CHEMONTID_0001127 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tganactn" ;
skos:prefLabel "trans-geranylaceton"@nl .
csc:BKIXWRBZCQEZAQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:56262 ;
dbo:casNumber "91538-84-0" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-3-1-4(14)6-5(2-3)19-12-7(6)8(15)9(16)10(17)11(12)18/h1-2H" ;
dbo:iupacName "1,2,3,4,7,9-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "56262"^^xsd:int ;
dbo:smiles "C1=C(C=C(C2=C1OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "BKIXWRBZCQEZAQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003029 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF119" ;
skos:prefLabel "1,2,3,4,7,9-hexachloordibenzofuraan"@nl .
csc:MHKLKWCYGIBEQF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7619 ;
dbo:casNumber "40860-79-5" , "31440-29-6" , "108251-60-1" , "102-77-2" , "35309-99-0" ;
dbo:formula "C11H12N2OS2" ;
dbo:inchi "InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2" ;
dbo:iupacName "2-morpholin-4-ylsulfanyl-1,3-benzothiazole"@en ;
dbo:pubchem "7619"^^xsd:int ;
dbo:smiles "C1COCCN1SC2=NC3=CC=CC=C3S2" ;
dbp:inchikey "MHKLKWCYGIBEQF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2mflntobztaz" ;
skos:prefLabel "2-morfoline(thio)benzothiazool"@nl .
csc:QNXSIUBBGPHDDE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6735 ;
dbo:casNumber "30286-23-8" , "83-33-0" ;
dbo:formula "C9H8O" ;
dbo:inchi "InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2" ;
dbo:iupacName "2,3-dihydroinden-1-one"@en ;
dbo:pubchem "6735"^^xsd:int ;
dbo:smiles "C1CC(=O)C2=CC=CC=C21" ;
dbp:inchikey "QNXSIUBBGPHDDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1indnn" ;
skos:prefLabel "1-indanon"@nl .
csc:RFFLAFLAYFXFSW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7239 ;
dbo:casNumber "95-50-1" , "25321-22-6" , "24634-92-2" ;
dbo:formula "C6H4Cl2" ;
dbo:inchi "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" ;
dbo:iupacName "1,2-Dichlorobenzene"@en ;
dbo:pubchem "7239"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)Cl)Cl" ;
dbp:inchikey "RFFLAFLAYFXFSW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 ;
skos:altLabel "1,2-dichloorbenzeen "@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_95-50-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DClBen" ;
skos:prefLabel "1,2-dichloorbenzeen"@nl ;
vcs:vmmParameterId "318"^^xsd:int .
csc:MHZGKXUYDGKKIU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8916 ;
dbo:casNumber "2016-57-1" ;
dbo:formula "C10H23N" ;
dbo:inchi "InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3" ;
dbo:iupacName "decan-1-amine"@en ;
dbo:pubchem "8916"^^xsd:int ;
dbo:smiles "CCCCCCCCCCN" ;
dbp:inchikey "MHZGKXUYDGKKIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoC10a" ;
skos:prefLabel "1-aminodecaan"@nl .
csc:PNDPGZBMCMUPRI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:807 ;
dbo:casNumber "24503-90-0" , "8012-81-5" , "7553-56-2" , "8031-47-8" , "8012-85-9" ;
dbo:formula "I2" ;
dbo:inchi "InChI=1S/I2/c1-2" ;
dbo:iupacName "Molecular iodine"@en ;
dbo:pubchem "807"^^xsd:int ;
dbo:smiles "II" ;
dbp:inchikey "PNDPGZBMCMUPRI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000432 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I2" ;
skos:prefLabel "dijodium"@nl .
csc:ZRIKZVLHMGYCIR-NSHDSACASA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:159151 ;
dbo:casNumber "87764-37-2" ;
dbo:formula "C14H19NO4" ;
dbo:inchi "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m0/s1" ;
dbo:iupacName "(2S)-2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoic acid"@en ;
dbo:pubchem "159151"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)COC" ;
dbp:inchikey "ZRIKZVLHMGYCIR-NSHDSACASA-N" ;
skos:altLabel "metalaxyl metaboliet CGA 62826"@nl ;
skos:broader csc:CHEMONTID_0004148 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mlxlMC62826" ;
skos:prefLabel "metalaxyl metaboliet cga 62826"@nl .
csc:SUDHEDJJFGYYPL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12709 ;
dbo:casNumber "687-48-9" ;
dbo:formula "C5H11NO2" ;
dbo:inchi "InChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3" ;
dbo:iupacName "Ethyl N,N-dimethylcarbamate"@en ;
dbo:pubchem "12709"^^xsd:int ;
dbo:smiles "CCOC(=O)N(C)C" ;
dbp:inchikey "SUDHEDJJFGYYPL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001162 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yDC1ycbmt" ;
skos:prefLabel "ethyl dimethylcarbamaat"@nl .
csc:BHNHHSOHWZKFOX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7224 ;
dbo:casNumber "95-20-5" ;
dbo:formula "C9H9N" ;
dbo:inchi "InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3" ;
dbo:iupacName "2-Methyl-1H-indole"@en ;
dbo:pubchem "7224"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2N1" ;
dbp:inchikey "BHNHHSOHWZKFOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yidl" ;
skos:prefLabel "2-methylindol"@nl .
csc:USSIQXCVUWKGNF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4095 ;
dbo:casNumber "297-88-1" , "76-99-3" , "125-58-6" , "5653-80-5" ;
dbo:formula "C21H27NO" ;
dbo:inchi "InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3" ;
dbo:iupacName "6-dimethylamino-4,4-di(phenyl)heptan-3-one"@en ;
dbo:pubchem "4095"^^xsd:int ;
dbo:smiles "CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2" ;
dbp:inchikey "USSIQXCVUWKGNF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metdn" ;
skos:prefLabel "methadon"@nl .
csc:SXPWTBGAZSPLHA-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31202 ;
dbo:casNumber "122-18-9" , "10328-34-4" , "89004-36-4" , "60484-28-8" ;
dbo:formula "C25H46ClN" ;
dbo:inchi "InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-hexadecyl-dimethylazanium chloride"@en ;
dbo:pubchem "31202"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "SXPWTBGAZSPLHA-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003977 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzDC1yC16y" ;
skos:prefLabel "benzyldimethylhexadecylammoniumchloride"@nl .
csc:AFYPFACVUDMOHA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6392 ;
dbo:casNumber "75-72-9" , "185009-43-2" ;
dbo:formula "CClF3" ;
dbo:inchi "InChI=1S/CClF3/c2-1(3,4)5" ;
dbo:iupacName "chloro-trifluoromethane"@en ;
dbo:pubchem "6392"^^xsd:int ;
dbo:smiles "C(F)(F)(F)Cl" ;
dbp:inchikey "AFYPFACVUDMOHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK13" ;
skos:prefLabel "chloortrifluormethaan"@nl .
csc:CBENFWSGALASAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24823 ;
dbo:casNumber "74087-86-8" , "10028-15-6" ;
dbo:formula "O3" ;
dbo:inchi "InChI=1S/O3/c1-3-2" ;
dbo:iupacName "OZONE"@en ;
dbo:pubchem "24823"^^xsd:int ;
dbo:smiles "[O-][O+]=O" ;
dbp:inchikey "CBENFWSGALASAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ozn" ;
skos:prefLabel "ozon"@nl .
csc:ASWVTGNCAZCNNR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5327 ;
dbo:casNumber "57-68-1" ;
dbo:formula "C12H14N4O2S" ;
dbo:inchi "InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)" ;
dbo:iupacName "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide"@en ;
dbo:pubchem "5327"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C" ;
dbp:inchikey "ASWVTGNCAZCNNR-UHFFFAOYSA-N" ;
skos:altLabel "sulfamethazine"@nl ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfdmdne" ;
skos:prefLabel "sulfadimidine"@nl .
csc:JCMNMOBHVPONLD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:74883 ;
dbo:casNumber "2043-47-2" ;
dbo:formula "C6H5F9O" ;
dbo:inchi "InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2" ;
dbo:iupacName "3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol"@en ;
dbo:pubchem "74883"^^xsd:int ;
dbo:smiles "C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "JCMNMOBHVPONLD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003967 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "42FTOH" ;
skos:prefLabel "perfluorethylethanol 4:2"@nl .
csc:YSAXEHWHSLANOM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16587 ;
dbo:casNumber "2177-47-1" ;
dbo:formula "C10H10" ;
dbo:inchi "InChI=1S/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3" ;
dbo:iupacName "2-METHYL-1H-INDENE"@en ;
dbo:pubchem "16587"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2C1" ;
dbp:inchikey "YSAXEHWHSLANOM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000021 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1idn" ;
skos:prefLabel "2-methylindeen"@nl .
csc:YXOVIGZJPGLNGM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17768 ;
dbo:casNumber "2809-64-5" ;
dbo:formula "C11H14" ;
dbo:inchi "InChI=1S/C11H14/c1-9-5-4-7-10-6-2-3-8-11(9)10/h4-5,7H,2-3,6,8H2,1H3" ;
dbo:iupacName "5-methyl-1,2,3,4-tetrahydronaphthalene"@en ;
dbo:pubchem "17768"^^xsd:int ;
dbo:smiles "CC1=C2CCCCC2=CC=C1" ;
dbp:inchikey "YXOVIGZJPGLNGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1yT4lne" ;
skos:prefLabel "5-methyltetralin"@nl .
csc:JLKIGFTWXXRPMT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5329 ;
dbo:casNumber "723-46-6" , "129378-89-8" ;
dbo:formula "C10H11N3O3S" ;
dbo:inchi "InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)" ;
dbo:iupacName "4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide"@en ;
dbo:pubchem "5329"^^xsd:int ;
dbo:smiles "CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "JLKIGFTWXXRPMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:exactMatch wise:CAS_723-46-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfmtoazl" ;
skos:prefLabel "sulfamethoxazol"@nl ;
vcs:vmmParameterId "1408"^^xsd:int .
csc:RBTARNINKXHZNM-UHFFFAOYSA-K
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24380 ;
dbo:casNumber "12178-83-5" , "130622-20-7" , "7705-08-0" , "12040-57-2" ;
dbo:formula "Cl3Fe" ;
dbo:inchi "InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3" ;
dbo:iupacName "['trichloroiron', 'iron(+3) cation trichloride']"@en ;
dbo:pubchem "24380"^^xsd:int ;
dbo:smiles "Cl[Fe](Cl)Cl" ;
dbp:inchikey "RBTARNINKXHZNM-UHFFFAOYSA-K" ;
skos:altLabel "ijzer(iii)chloride"@nl ;
skos:broader csc:CHEMONTID_0000588 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeCl3" ;
skos:prefLabel "ijzer(III)chloride"@nl .
csc:VVJKKWFAADXIJK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7853 ;
dbo:casNumber "71550-12-4" , "107-11-9" , "30551-89-4" ;
dbo:formula "C3H7N" ;
dbo:inchi "InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2" ;
dbo:iupacName "prop-2-en-1-amine"@en ;
dbo:pubchem "7853"^^xsd:int ;
dbo:smiles "C=CCN" ;
dbp:inchikey "VVJKKWFAADXIJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Ao1C3e" ;
skos:prefLabel "3-amino-1-propeen"@nl .
csc:QGSRKGWCQSATCL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14503 ;
dbo:casNumber "1192-52-5" ;
dbo:formula "C3Cl2OS2" ;
dbo:inchi "InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6" ;
dbo:iupacName "4,5-dichlorodithiol-3-one"@en ;
dbo:pubchem "14503"^^xsd:int ;
dbo:smiles "C1(=C(SSC1=O)Cl)Cl" ;
dbp:inchikey "QGSRKGWCQSATCL-UHFFFAOYSA-N" ;
skos:altLabel "4,5-dichloor-3h-1,2-dithiool-3-on"@nl ;
skos:broader csc:CHEMONTID_0001030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "45DCl3H12Dto" ;
skos:prefLabel "4,5-dichloor-3H-1,2-dithiool-3-on"@nl .
csc:FYWJWWMKCARWQG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:33050 ;
dbo:casNumber "41195-90-8" , "25550-53-2" ;
dbo:formula "C7H3Cl2NO" ;
dbo:inchi "InChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H" ;
dbo:iupacName "1,2-Dichloro-3-isocyanatobenzene"@en ;
dbo:pubchem "33050"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)N=C=O" ;
dbp:inchikey "FYWJWWMKCARWQG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClFyiCN" ;
skos:prefLabel "2,3-dichloorfenylisocyanaat"@nl .
csc:CWBIFDGMOSWLRQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:25477 ;
dbo:casNumber "61076-97-9" , "12001-29-5" ;
dbo:formula "H4Mg3O9Si2" ;
dbo:inchi "InChI=1S/3Mg.2HO4Si.H2O/c;;;2*1-5(2,3)4;/h;;;2*1H;1H2/q3*+2;2*-3;" ;
dbo:iupacName "trimagnesium hydroxy-trioxidosilane hydrate"@en ;
dbo:pubchem "25477"^^xsd:int ;
dbo:smiles "O.O[Si]([O-])([O-])[O-].O[Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]" ;
dbp:inchikey "CWBIFDGMOSWLRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000921 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chrystl" ;
skos:prefLabel "chrysotiel (witte asbest)"@nl .
csc:KLMCZVJOEAUDNE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328145 ;
dbo:casNumber "7440-73-5" ;
dbo:formula "Fr" ;
dbo:inchi "InChI=1S/Fr" ;
dbo:iupacName "FRANCIUM"@en ;
dbo:pubchem "6328145"^^xsd:int ;
dbo:smiles "[Fr]" ;
dbp:inchikey "KLMCZVJOEAUDNE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fr" ;
skos:prefLabel "francium"@nl .
csc:DMSMPAJRVJJAGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17520 ;
dbo:casNumber "54392-14-2" , "75037-67-1" , "40991-37-5" , "101964-01-6" , "2634-33-5" ;
dbo:formula "C7H5NOS" ;
dbo:inchi "InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)" ;
dbo:iupacName "1,2-benzothiazol-3-one"@en ;
dbo:pubchem "17520"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)NS2" ;
dbp:inchikey "DMSMPAJRVJJAGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12benztaz3o" ;
skos:prefLabel "1,2-benzothiazool-3-on"@nl .
csc:CAHQGWAXKLQREW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7411 ;
dbo:casNumber "98-87-3" , "29797-40-8" , "37808-21-2" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H" ;
dbo:iupacName "Dichloromethylbenzene"@en ;
dbo:pubchem "7411"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(Cl)Cl" ;
dbp:inchikey "CAHQGWAXKLQREW-UHFFFAOYSA-N" ;
skos:altLabel "alfa-alfa-dichloortolueen (benzalchloride)"@nl , "alfa-alfa-dichloortolueen"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_98-87-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aaDClTol" ;
skos:prefLabel "alfa,alfa-dichloortolueen"@nl ;
vcs:vmmParameterId "770"^^xsd:int .
csc:KWWWFTBWCKTBQI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41122 ;
dbo:casNumber "54549-72-3" ;
dbo:formula "C11H14O2" ;
dbo:inchi "InChI=1S/C11H14O2/c1-8(12)9-4-6-10(7-5-9)11(2,3)13/h4-7,13H,1-3H3" ;
dbo:iupacName "1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone"@en ;
dbo:pubchem "41122"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=C(C=C1)C(C)(C)O" ;
dbp:inchikey "KWWWFTBWCKTBQI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "41HOx1C1yC2y" ;
skos:prefLabel "4-(1-hydroxy-1-methylethyl)-acetofenon"@nl .
csc:DECIPOUIJURFOJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3293 ;
dbo:casNumber "63301-91-7" , "91-53-2" , "8047-04-9" , "8047-14-1" ;
dbo:formula "C14H19NO" ;
dbo:inchi "InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3" ;
dbo:iupacName "6-ethoxy-2,2,4-trimethyl-1H-quinoline"@en ;
dbo:pubchem "3293"^^xsd:int ;
dbo:smiles "CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C" ;
dbp:inchikey "DECIPOUIJURFOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001716 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etxcne" ;
skos:prefLabel "ethoxychine"@nl .
csc:IRIAEXORFWYRCZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2347 ;
dbo:casNumber "58128-78-2" , "85-68-7" ;
dbo:formula "C19H20O4" ;
dbo:inchi "InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3" ;
dbo:iupacName "O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "2347"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2" ;
dbp:inchikey "IRIAEXORFWYRCZ-UHFFFAOYSA-N" ;
skos:altLabel "butylbenzylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_85-68-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzC4yFt" ;
skos:prefLabel "benzylbutylftalaat"@nl ;
vcs:vmmParameterId "60"^^xsd:int .
csc:JUVIOZPCNVVQFO-HBGVWJBISA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6758 ;
dbo:casNumber "12679-58-2" , "83-79-4" ;
dbo:formula "C23H22O6" ;
dbo:inchi "InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1" ;
dbo:iupacName "(1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one"@en ;
dbo:pubchem "6758"^^xsd:int ;
dbo:smiles "CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC" ;
dbp:inchikey "JUVIOZPCNVVQFO-HBGVWJBISA-N" ;
skos:broader csc:CHEMONTID_0003528 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rotnn" ;
skos:prefLabel "rotenon"@nl .
csc:LCHYEKKJCUJAKN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12570 ;
dbo:casNumber "644-35-9" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3" ;
dbo:iupacName "2-Propylphenol"@en ;
dbo:pubchem "12570"^^xsd:int ;
dbo:smiles "CCCC1=CC=CC=C1O" ;
dbp:inchikey "LCHYEKKJCUJAKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3yFol" ;
skos:prefLabel "2-propylfenol"@nl .
csc:ODUCDPQEXGNKDN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 2.5.3 'NO'"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:945 ;
dbo:casNumber "14332-28-6" , "90880-94-7" , "51005-20-0" , "51005-21-1" , "53851-19-7" , "10102-43-9" , "90452-29-2" ;
dbo:formula "HNO" ;
dbo:inchi "InChI=1S/HNO/c1-2/h1H" ;
dbo:iupacName "nitroxyl"@en ;
dbo:pubchem "945"^^xsd:int ;
dbo:smiles "N=O" ;
dbp:inchikey "ODUCDPQEXGNKDN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "stikstofmonoxide (NO)"@nl ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "stikstofmonoxide (no)"@nl .
csc:AMQJEAYHLZJPGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6276 ;
dbo:casNumber "71-41-0" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" ;
dbo:iupacName "Pentan-1-ol"@en ;
dbo:pubchem "6276"^^xsd:int ;
dbo:smiles "CCCCCO" ;
dbp:inchikey "AMQJEAYHLZJPGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C5ol" ;
skos:prefLabel "pentanol"@nl .
csc:QUSNBJAOOMFDIB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6341 ;
dbo:casNumber "43031-21-6" , "85404-22-4" , "75-04-7" , "85404-16-6" ;
dbo:formula "C2H7N" ;
dbo:inchi "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" ;
dbo:iupacName "Ethanamine"@en ;
dbo:pubchem "6341"^^xsd:int ;
dbo:smiles "CCN" ;
dbp:inchikey "QUSNBJAOOMFDIB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yAe" ;
skos:prefLabel "ethylamine"@nl .
csc:WYURNTSHIVDZCO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8028 ;
dbo:casNumber "77392-70-2" , "24979-97-3" , "109-99-9" ;
dbo:formula "C4H8O" ;
dbo:inchi "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" ;
dbo:iupacName "Oxolane"@en ;
dbo:pubchem "8028"^^xsd:int ;
dbo:smiles "C1CCOC1" ;
dbp:inchikey "WYURNTSHIVDZCO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_008 ;
skos:altLabel "tetrahydrofuraan"@nl ;
skos:broader csc:CHEMONTID_0002648 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PTMEG" , "T4Hfrn" ;
skos:prefLabel "polytetramethyletherglycol"@nl .
csc:CGYGETOMCSJHJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7056 ;
dbo:casNumber "91-58-7" ;
dbo:formula "C10H7Cl" ;
dbo:inchi "InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H" ;
dbo:iupacName "2-CHLORONAPHTHALENE"@en ;
dbo:pubchem "7056"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)Cl" ;
dbp:inchikey "CGYGETOMCSJHJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004794 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClNaf" ;
skos:prefLabel "2-chloornaftaleen"@nl .
csc:BUGBHKTXTAQXES-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'Se'"@nl , "VLAR II bijl. 4.4.2 'seleen en zijn verbindingen, uitgedrukt in Se'"@nl , "VLAR III (D3) 'seleenverbindingen, uitgedrukt als Se'"@nl ;
rdfs:seeAlso compound:6326970 ;
dbo:casNumber "95788-45-7" , "12641-96-2" , "12733-65-2" , "11133-88-3" , "51882-60-1" , "50954-17-1" , "12640-29-8" , "7782-49-2" , "11125-23-8" , "37276-15-6" , "37368-02-8" , "12640-30-1" , "37256-19-2" , "37258-85-8" , "7783-07-5" ;
dbo:formula "Se" ;
dbo:inchi "InChI=1S/Se" ;
dbo:iupacName "Selenium"@en ;
dbo:pubchem "6326970"^^xsd:int ;
dbo:smiles "[Se]" ;
dbp:inchikey "BUGBHKTXTAQXES-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 , co:WAC_III_B_010 , co:CMA_2_I_B , co:CMA_2_I_B.6 , co:CMA_2_I_B.1 , co:WAC_III_B_012 ;
skos:altLabel "Seleen (Se)"@nl , "seleen (se)"@nl , "seleen, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000434 ;
skos:definition "seleen en seleenverbindingen, uitgedrukt als lood (Pb)"@nl ;
skos:exactMatch wise:CAS_7782-49-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Se" ;
skos:prefLabel "seleen"@nl ;
vcs:vmmParameterId "1966"^^xsd:int , "181"^^xsd:int , "183"^^xsd:int , "182"^^xsd:int .
csc:PNPCRKVUWYDDST-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7932 ;
dbo:casNumber "108-42-9" ;
dbo:formula "C6H6ClN" ;
dbo:inchi "InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2" ;
dbo:iupacName "3-Chloroaniline"@en ;
dbo:pubchem "7932"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)N" ;
dbp:inchikey "PNPCRKVUWYDDST-UHFFFAOYSA-N" ;
skos:altLabel "m-chlooraniline"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_108-42-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClAn" ;
skos:prefLabel "3-chlooraniline"@nl ;
vcs:vmmParameterId "50"^^xsd:int .
csc:CYEJMVLDXAUOPN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:171144 ;
dbo:casNumber "27193-86-8" ;
dbo:formula "C18H30O" ;
dbo:inchi "InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16,19H,2-11,14H2,1H3" ;
dbo:iupacName "2-Dodecylphenol"@en ;
dbo:pubchem "171144"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCC1=CC=CC=C1O" ;
dbp:inchikey "CYEJMVLDXAUOPN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sC12yFol" ;
skos:prefLabel "som dodecylfenol-isomeren"@nl .
csc:FGLBSLMDCBOPQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:398 ;
dbo:casNumber "104306-46-9" , "79-46-9" ;
dbo:formula "C3H7NO2" ;
dbo:inchi "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" ;
dbo:iupacName "['2-nitropropane', 'N-oxido-N-propan-2-ylhydroxylamine', 'N,N-dihydroxypropan-2-amine']"@en ;
dbo:pubchem "398"^^xsd:int ;
dbo:smiles "CC(C)[N+](=O)[O-]" ;
dbp:inchikey "FGLBSLMDCBOPQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004117 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2C3a" ;
skos:prefLabel "2-nitropropaan"@nl .
csc:MKARNSWMMBGSHX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7949 ;
dbo:casNumber "108-69-0" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3" ;
dbo:iupacName "3,5-Dimethylaniline"@en ;
dbo:pubchem "7949"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)N)C" ;
dbp:inchikey "MKARNSWMMBGSHX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DC1yAn" ;
skos:prefLabel "3,5-dimethylaniline"@nl .
csc:QIMMUPPBPVKWKM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7055 ;
dbo:casNumber "7419-61-6" , "91-57-6" ;
dbo:formula "C11H10" ;
dbo:inchi "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" ;
dbo:iupacName "2-Methylnaphthalene"@en ;
dbo:pubchem "7055"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2C=C1" ;
dbp:inchikey "QIMMUPPBPVKWKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yNaf" ;
skos:prefLabel "2-methylnaftaleen"@nl .
csc:QMMFBGBMARGVFC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:101258 ;
dbo:casNumber "37557-96-3" ;
dbo:formula "C2H4Cl2O2S" ;
dbo:inchi "InChI=1S/C2H4Cl2O2S/c1-7(5,6)2(3)4/h2H,1H3" ;
dbo:iupacName "dichloromethylsulfonylmethane"@en ;
dbo:pubchem "101258"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C(Cl)Cl" ;
dbp:inchikey "QMMFBGBMARGVFC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClC1ysfnC1a" ;
skos:prefLabel "dichloor(methylsulfonyl)methaan"@nl .
csc:LCFVJGUPQDGYKZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2286 ;
dbo:casNumber "116161-20-7" , "170962-54-6" , "500008-19-5" , "47424-12-4" , "1675-54-3" , "85101-00-4" ;
dbo:formula "C21H24O4" ;
dbo:inchi "InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3" ;
dbo:iupacName "2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane"@en ;
dbo:pubchem "2286"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4" ;
dbp:inchikey "LCFVJGUPQDGYKZ-UHFFFAOYSA-N" ;
skos:altLabel "bisfenol a diglycidylether"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisFolADgcdE" ;
skos:prefLabel "bisfenol A diglycidylether"@nl .
csc:UMKANAFDOQQUKE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:20848 ;
dbo:casNumber "4726-14-1" ;
dbo:formula "C13H19N3O6S" ;
dbo:inchi "InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3" ;
dbo:iupacName "4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline"@en ;
dbo:pubchem "20848"^^xsd:int ;
dbo:smiles "CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]" ;
dbp:inchikey "UMKANAFDOQQUKE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nitln" ;
skos:prefLabel "nitralin"@nl .
csc:LNJNFVJKDJYTEU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91742 ;
dbo:casNumber "87130-20-9" ;
dbo:formula "C14H21NO4" ;
dbo:inchi "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" ;
dbo:iupacName "propan-2-yl N-(3,4-diethoxyphenyl)carbamate"@en ;
dbo:pubchem "91742"^^xsd:int ;
dbo:smiles "CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC" ;
dbp:inchikey "LNJNFVJKDJYTEU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Detfcb" ;
skos:prefLabel "diethofencarb"@nl .
csc:SBMIVUVRFPGOEB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:42138 ;
dbo:casNumber "57117-41-6" ;
dbo:formula "C12H3Cl5O" ;
dbo:inchi "InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H" ;
dbo:iupacName "1,2,3,7,8-PENTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "42138"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl" ;
dbp:inchikey "SBMIVUVRFPGOEB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel " 1,2,3,7,8-pentachloordibenzofuraan"@nl , "1,2,3,7,8-pentachloordibenzofuraan (pecdf)"@nl , "1,2,3,7,8-pentachloordibenzofuraan"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_57117-41-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF94" ;
skos:prefLabel "1,2,3,7,8-pentachloordibenzofuran"@nl ;
vcs:vmmParameterId "1238"^^xsd:int .
csc:LCGLNKUTAGEVQW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:8254 ;
dbo:casNumber "157621-61-9" , "115-10-6" ;
dbo:formula "C2H6O" ;
dbo:inchi "InChI=1S/C2H6O/c1-3-2/h1-2H3" ;
dbo:iupacName "Methoxymethane"@en ;
dbo:pubchem "8254"^^xsd:int ;
dbo:smiles "COC" ;
dbp:inchikey "LCGLNKUTAGEVQW-UHFFFAOYSA-N" ;
skos:altLabel "dimethylether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yEtr" ;
skos:prefLabel "dimethylether "@nl .
csc:YQUQWHNMBPIWGK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7465 ;
dbo:casNumber "99-89-8" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3" ;
dbo:iupacName "4-propan-2-ylphenol"@en ;
dbo:pubchem "7465"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)O" ;
dbp:inchikey "YQUQWHNMBPIWGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4iC3yFol" ;
skos:prefLabel "4-isopropylfenol"@nl .
csc:QIONYIKHPASLHO-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6414 ;
dbo:casNumber "75-96-7" ;
dbo:formula "C2Br3O2-" ;
dbo:inchi "InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1" ;
dbo:iupacName "2,2,2-tribromoacetate"@en ;
dbo:pubchem "6414"^^xsd:int ;
dbo:smiles "C(=O)(C(Br)(Br)Br)[O-]" ;
dbp:inchikey "QIONYIKHPASLHO-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TBrHAc" ;
skos:prefLabel "tribroomazijnzuur"@nl .
csc:YPNZJHFXFVLXSE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6898 ;
dbo:casNumber "87-64-9" ;
dbo:formula "C7H7ClO" ;
dbo:inchi "InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3" ;
dbo:iupacName "2-Chloro-6-methylphenol"@en ;
dbo:pubchem "6898"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)Cl)O" ;
dbp:inchikey "YPNZJHFXFVLXSE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6C1yFol" ;
skos:prefLabel "2-chloor-6-methylfenol"@nl .
csc:GEYOCULIXLDCMW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7243 ;
dbo:casNumber "95-54-5" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2" ;
dbo:iupacName "benzene-1,2-diamine"@en ;
dbo:pubchem "7243"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)N)N" ;
dbp:inchikey "GEYOCULIXLDCMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DAoBen" ;
skos:prefLabel "1,2-diaminobenzeen"@nl .
csc:DOLQYFPDPKPQSS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7248 ;
dbo:casNumber "95-64-7" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3" ;
dbo:iupacName "3,4-Dimethylaniline"@en ;
dbo:pubchem "7248"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N)C" ;
dbp:inchikey "DOLQYFPDPKPQSS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yAn" ;
skos:prefLabel "3,4-dimethylaniline"@nl .
csc:FFSSWMQPCJRCRV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91739 ;
dbo:casNumber "113875-40-4" , "84087-01-4" ;
dbo:formula "C10H5Cl2NO2" ;
dbo:inchi "InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)" ;
dbo:iupacName "3,7-Dichloroquinoline-8-carboxylic acid"@en ;
dbo:pubchem "91739"^^xsd:int ;
dbo:smiles "C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl" ;
dbp:inchikey "FFSSWMQPCJRCRV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quincrc" ;
skos:prefLabel "quinclorac"@nl .
csc:ZAFYATHCZYHLPB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5732 ;
dbo:casNumber "82626-48-0" ;
dbo:formula "C19H21N3O" ;
dbo:inchi "InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3" ;
dbo:iupacName "N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[3,2-a]pyridin-3-yl]acetamide"@en ;
dbo:pubchem "5732"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C" ;
dbp:inchikey "ZAFYATHCZYHLPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002327 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "zolpdm" ;
skos:prefLabel "zolpidem"@nl .
csc:HNXNKTMIVROLTK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26690 ;
dbo:casNumber "14433-76-2" ;
dbo:formula "C12H25NO" ;
dbo:inchi "InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3" ;
dbo:iupacName "N,N-Dimethyldecanamide"@en ;
dbo:pubchem "26690"^^xsd:int ;
dbo:smiles "CCCCCCCCCC(=O)N(C)C" ;
dbp:inchikey "HNXNKTMIVROLTK-UHFFFAOYSA-N" ;
skos:altLabel "N,N-dimethyldecanamide"@nl ;
skos:broader csc:CHEMONTID_0001096 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC1yC10aAd" ;
skos:prefLabel "n,n-dimethyldecanamide"@nl .
csc:LTUNNEGNEKBSEH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91751 ;
dbo:casNumber "94125-34-5" ;
dbo:formula "C15H16F3N5O4S" ;
dbo:inchi "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" ;
dbo:iupacName "3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea"@en ;
dbo:pubchem "91751"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" ;
dbp:inchikey "LTUNNEGNEKBSEH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prosfrn" ;
skos:prefLabel "prosulfuron"@nl .
csc:GZCRRIHWUXGPOV-OUBTZVSYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:161008 ;
dbo:casNumber "13981-29-8" ;
dbo:formula "Tb" ;
dbo:inchi "InChI=1S/Tb/i1+1" ;
dbo:iupacName "terbium-160"@en ;
dbo:pubchem "161008"^^xsd:int ;
dbo:smiles "[Tb]" ;
dbp:inchikey "GZCRRIHWUXGPOV-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tb160" ;
skos:prefLabel "terbium 160"@nl .
csc:RFCAUADVODFSLZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6430 ;
dbo:casNumber "12770-91-1" , "76-15-3" ;
dbo:formula "C2ClF5" ;
dbo:inchi "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" ;
dbo:iupacName "1-Chloro-1,1,2,2,2-pentafluoroethane"@en ;
dbo:pubchem "6430"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(F)(F)F" ;
dbp:inchikey "RFCAUADVODFSLZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK115" ;
skos:prefLabel "monochloorpentafluorethaan"@nl .
csc:NJIZUWGMNCUKGU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:64952 ;
dbo:casNumber "127-74-2" , "5572-57-6" ;
dbo:formula "C12H12N4O3S" ;
dbo:inchi "InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)" ;
dbo:iupacName "N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide"@en ;
dbo:pubchem "64952"^^xsd:int ;
dbo:smiles "CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2" ;
dbp:inchikey "NJIZUWGMNCUKGU-UHFFFAOYSA-N" ;
skos:altLabel "N(4)-acetylsulfadiazine"@nl ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N4actsfdazne" ;
skos:prefLabel "n(4)-acetylsulfadiazine"@nl .
csc:XJCLWVXTCRQIDI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7216 ;
dbo:casNumber "95-06-7" ;
dbo:formula "C8H14ClNS2" ;
dbo:inchi "InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3" ;
dbo:iupacName "2-chloroprop-2-enyl diethylaminomethanedithioate"@en ;
dbo:pubchem "7216"^^xsd:int ;
dbo:smiles "CCN(CC)C(=S)SCC(=C)Cl" ;
dbp:inchikey "XJCLWVXTCRQIDI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003936 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfalt" ;
skos:prefLabel "sulfallaat"@nl .
csc:WYWIFABBXFUGLM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4636 ;
dbo:casNumber "1491-59-4" ;
dbo:formula "C16H24N2O" ;
dbo:inchi "InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)" ;
dbo:iupacName "6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol"@en ;
dbo:pubchem "4636"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C" ;
dbp:inchikey "WYWIFABBXFUGLM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oxmtzlne" ;
skos:prefLabel "oxymetazoline"@nl .
csc:KNKRKFALVUDBJE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6564 ;
dbo:casNumber "68390-96-5" , "78-87-5" , "26198-63-0" ;
dbo:formula "C3H6Cl2" ;
dbo:inchi "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" ;
dbo:iupacName "1,2-Dichloropropane"@en ;
dbo:pubchem "6564"^^xsd:int ;
dbo:smiles "CC(CCl)Cl" ;
dbp:inchikey "KNKRKFALVUDBJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_78-87-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DClC3a" ;
skos:prefLabel "1,2-dichloorpropaan"@nl ;
vcs:vmmParameterId "321"^^xsd:int .
csc:QPLDLSVMHZLSFG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14829 ;
dbo:casNumber "185461-92-1" , "1317-38-0" ;
dbo:formula "CuO" ;
dbo:inchi "InChI=1S/Cu.O" ;
dbo:iupacName "oxocopper"@en ;
dbo:pubchem "14829"^^xsd:int ;
dbo:smiles "O=[Cu]" ;
dbp:inchikey "QPLDLSVMHZLSFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CuO" ;
skos:prefLabel "koperoxide"@nl .
csc:MEBQXILRKZHVCX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13709 ;
dbo:casNumber "950-37-8" ;
dbo:formula "C6H11N2O4PS3" ;
dbo:inchi "InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3" ;
dbo:iupacName "3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one"@en ;
dbo:pubchem "13709"^^xsd:int ;
dbo:smiles "COC1=NN(C(=O)S1)CSP(=S)(OC)OC" ;
dbp:inchikey "MEBQXILRKZHVCX-UHFFFAOYSA-N" ;
skos:altLabel "methidathion"@nl ;
skos:broader csc:CHEMONTID_0004770 ;
skos:exactMatch wise:CAS_950-37-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metdton" ;
skos:prefLabel "methidation"@nl ;
vcs:vmmParameterId "677"^^xsd:int .
csc:ZSLUVFAKFWKJRC-YPZZEJLDSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61723 ;
dbo:casNumber "14269-63-7" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-2" ;
dbo:iupacName "thorium-230"@en ;
dbo:pubchem "61723"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "ZSLUVFAKFWKJRC-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th230" ;
skos:prefLabel "thorium 230"@nl .
csc:DNJIEGIFACGWOD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6343 ;
dbo:casNumber "811-51-8" , "75-08-1" ;
dbo:formula "C2H6S" ;
dbo:inchi "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" ;
dbo:iupacName "Ethanethiol"@en ;
dbo:pubchem "6343"^^xsd:int ;
dbo:smiles "CCS" ;
dbp:inchikey "DNJIEGIFACGWOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2atol" ;
skos:prefLabel "ethaanthiol"@nl .
csc:XNLICIUVMPYHGG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7895 ;
dbo:casNumber "107-87-9" , "27154-67-2" ;
dbo:formula "C5H10O" ;
dbo:inchi "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" ;
dbo:iupacName "Pentan-2-one"@en ;
dbo:pubchem "7895"^^xsd:int ;
dbo:smiles "CCCC(=O)C" ;
dbp:inchikey "XNLICIUVMPYHGG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C5on" ;
skos:prefLabel "2-pentanon"@nl .
csc:KKOYBOFPUBHPFO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25355 ;
dbo:casNumber "10548-10-4" ;
dbo:formula "C9H21O3PS3" ;
dbo:inchi "InChI=1S/C9H21O3PS3/c1-6-11-13(14,12-7-2)15-8-16(10)9(3,4)5/h6-8H2,1-5H3" ;
dbo:iupacName "tert-butylsulfinylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "25355"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCS(=O)C(C)(C)C" ;
dbp:inchikey "KKOYBOFPUBHPFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbfSO" ;
skos:prefLabel "terbufos-sulfoxide"@nl .
csc:POOSGDOYLQNASK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12592 ;
dbo:casNumber "646-31-1" ;
dbo:formula "C24H50" ;
dbo:inchi "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" ;
dbo:iupacName "Tetracosane"@en ;
dbo:pubchem "12592"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "POOSGDOYLQNASK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C24a" ;
skos:prefLabel "tetracosaan"@nl .
csc:GCSHTDCBGCURHU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:138394354 ;
dbo:casNumber "39492-88-1" ;
dbo:formula "C4HF7O4" ;
dbo:inchi "InChI=1S/C4HF7O4/c5-2(6,1(12)13)14-4(10,11)15-3(7,8)9/h(H,12,13)" ;
dbo:iupacName "2-[difluoro(trifluoromethoxy)methoxy]-2,2-difluoroacetic acid"@en ;
dbo:pubchem "138394354"^^xsd:int ;
dbo:smiles "C(=O)(C(OC(OC(F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "GCSHTDCBGCURHU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFO2HxA" ;
skos:prefLabel "perfluor-3,5-dioxahexaanzuur "@nl .
csc:JEEQUUSFXYRPRK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:85927 ;
dbo:casNumber "15869-94-0" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3" ;
dbo:iupacName "3,6-Dimethyloctane"@en ;
dbo:pubchem "85927"^^xsd:int ;
dbo:smiles "CCC(C)CCC(C)CC" ;
dbp:inchikey "JEEQUUSFXYRPRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "36DC1yC8a" ;
skos:prefLabel "3,6-dimethyloctaan"@nl .
csc:XCSGHNKDXGYELG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7713 ;
dbo:casNumber "104-66-5" ;
dbo:formula "C14H14O2" ;
dbo:inchi "InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2" ;
dbo:iupacName "2-(phenoxy)ethoxybenzene"@en ;
dbo:pubchem "7713"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OCCOC2=CC=CC=C2" ;
dbp:inchikey "XCSGHNKDXGYELG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DfenOxC2a" ;
skos:prefLabel "1,2-difenoxyethaan"@nl .
csc:PLDUPXSUYLZYBN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3372 ;
dbo:casNumber "47646-09-3" , "69-23-8" ;
dbo:formula "C22H26F3N3OS" ;
dbo:inchi "InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2" ;
dbo:iupacName "2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol"@en ;
dbo:pubchem "3372"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO" ;
dbp:inchikey "PLDUPXSUYLZYBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flufnzne" ;
skos:prefLabel "flufenazine"@nl .
csc:UXADOQPNKNTIHB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:73670 ;
dbo:casNumber "74115-24-5" , "88025-82-5" ;
dbo:formula "C14H8Cl2N4" ;
dbo:inchi "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" ;
dbo:iupacName "3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine"@en ;
dbo:pubchem "73670"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl" ;
dbp:inchikey "UXADOQPNKNTIHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chloftzn" ;
skos:prefLabel "chlofentezin"@nl .
csc:ZZUFCTLCJUWOSV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3440 ;
dbo:casNumber "54-31-9" ;
dbo:formula "C12H11ClN2O5S" ;
dbo:inchi "InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)" ;
dbo:iupacName "4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid"@en ;
dbo:pubchem "3440"^^xsd:int ;
dbo:smiles "C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl" ;
dbp:inchikey "ZZUFCTLCJUWOSV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fursmde" ;
skos:prefLabel "furosemide"@nl .
csc:IUJDSEJGGMCXSG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:1244 ;
dbo:casNumber "59709-53-4" , "76-75-5" ;
dbo:formula "C11H18N2O2S" ;
dbo:inchi "InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione"@en ;
dbo:pubchem "1244"^^xsd:int ;
dbo:smiles "CCCC(C)C1(C(=O)NC(=NC1=O)S)CC" ;
dbp:inchikey "IUJDSEJGGMCXSG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001122 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "toptl" ;
skos:prefLabel "thiopental"@nl .
csc:TTZLKXKJIMOHHG-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13762 ;
dbo:casNumber "965-32-2" , "63449-41-2" ;
dbo:formula "C19H34ClN" ;
dbo:inchi "InChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-decyl-dimethylazanium chloride"@en ;
dbo:pubchem "13762"^^xsd:int ;
dbo:smiles "CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "TTZLKXKJIMOHHG-UHFFFAOYSA-M" ;
skos:altLabel "C8-C18-alkylbenzyldimethylammoniumchloride"@nl , "benzyldimethyldecylammoniumchloride"@nl ;
skos:broader csc:CHEMONTID_0003977 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8C18akbzDC1" , "benzDC1yC10y" ;
skos:prefLabel "c8-c18-alkylbenzyldimethylammoniumchloride"@nl .
csc:MHAJPDPJQMAIIY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:784 ;
dbo:casNumber "218625-72-0" , "66554-50-5" , "8007-30-5" , "37355-84-3" , "7722-84-1" ;
dbo:formula "H2O2" ;
dbo:inchi "InChI=1S/H2O2/c1-2/h1-2H" ;
dbo:iupacName "hydrogen peroxide"@en ;
dbo:pubchem "784"^^xsd:int ;
dbo:smiles "OO" ;
dbp:inchikey "MHAJPDPJQMAIIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H2O2" ;
skos:prefLabel "waterstofperoxide"@nl .
csc:XDOTVMNBCQVZKG-MKICQXMISA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9601227 ;
dbo:casNumber "78876-59-2" , "72424-66-9" , "65154-62-3" , "59669-26-0" ;
dbo:formula "C10H18N4O4S3" ;
dbo:inchi "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+" ;
dbo:iupacName "(1-methylsulfanylethylideneamino) N-methyl-N-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamate"@en ;
dbo:pubchem "9601227"^^xsd:int ;
dbo:smiles "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" ;
dbp:inchikey "XDOTVMNBCQVZKG-MKICQXMISA-N" ;
skos:broader csc:CHEMONTID_0000364 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "toDcb" ;
skos:prefLabel "thiodicarb"@nl .
csc:FEVBMCJUKWWWBT-BNIOFCGNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6442256 ;
dbo:casNumber "154037-70-4" ;
dbo:formula "C52H71N7O12" ;
dbo:inchi "InChI=1S/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+" ;
dbo:iupacName "18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-15-(phenylmethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6442256"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=CC=C2)C=CC(=CC(C)C(CC3=CC=CC=C3)OC)C" ;
dbp:inchikey "FEVBMCJUKWWWBT-BNIOFCGNSA-N" ;
skos:altLabel "microcystine-LF"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC-LF" ;
skos:prefLabel "microcystine-lf"@nl .
csc:CSWIKHNSBZVWNQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6450826 ;
dbo:casNumber "106700-29-2" ;
dbo:formula "C16H22ClNO2" ;
dbo:inchi "InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3" ;
dbo:iupacName "2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide"@en ;
dbo:pubchem "6450826"^^xsd:int ;
dbo:smiles "CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1" ;
dbp:inchikey "CSWIKHNSBZVWNQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "petoamd" ;
skos:prefLabel "pethoxamid"@nl .
csc:FSAVDKDHPDSCTO-XYOKQWHBSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5377791 ;
dbo:casNumber "18708-86-6" ;
dbo:formula "C12H14Cl3O4P" ;
dbo:inchi "InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+" ;
dbo:iupacName "[(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate"@en ;
dbo:pubchem "5377791"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "FSAVDKDHPDSCTO-XYOKQWHBSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bClfvfs" ;
skos:prefLabel "beta-chloorfenvinfos"@nl .
csc:GWLLTEXUIOFAFE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32241 ;
dbo:casNumber "24157-81-1" ;
dbo:formula "C16H20" ;
dbo:inchi "InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3" ;
dbo:iupacName "2,6-di(propan-2-yl)naphthalene"@en ;
dbo:pubchem "32241"^^xsd:int ;
dbo:smiles "CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C" ;
dbp:inchikey "GWLLTEXUIOFAFE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DiC3yNaf" ;
skos:prefLabel "2,6-diisopropylnaftaleen"@nl .
csc:ZJMWRROPUADPEA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8680 ;
dbo:casNumber "5787-28-0" , "68411-44-9" , "36383-15-0" , "135-98-8" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" ;
dbo:iupacName "butan-2-ylbenzene"@en ;
dbo:pubchem "8680"^^xsd:int ;
dbo:smiles "CCC(C)C1=CC=CC=C1" ;
dbp:inchikey "ZJMWRROPUADPEA-UHFFFAOYSA-N" ;
skos:altLabel "sec-butylbenzeen"@nl , "butylbenzeen (vertakt en lineair)"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_135-98-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "secC4yBen" , "sC4yBen" ;
skos:prefLabel "secundair-butylbenzeen"@nl ;
vcs:vmmParameterId "549"^^xsd:int .
csc:MYSWGUAQZAJSOK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2764 ;
dbo:casNumber "85721-33-1" ;
dbo:formula "C17H18FN3O3" ;
dbo:inchi "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)" ;
dbo:iupacName "1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid"@en ;
dbo:pubchem "2764"^^xsd:int ;
dbo:smiles "C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O" ;
dbp:inchikey "MYSWGUAQZAJSOK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:exactMatch wise:CAS_85721-33-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cipfxcne" ;
skos:prefLabel "ciprofloxacine"@nl ;
vcs:vmmParameterId "1854"^^xsd:int .
csc:VHUUQVKOLVNVRT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14923 ;
dbo:casNumber "132103-60-7" , "125888-87-1" , "1336-21-6" , "16393-49-0" ;
dbo:formula "H5NO" ;
dbo:inchi "InChI=1S/H3N.H2O/h1H3;1H2" ;
dbo:iupacName "azanium hydroxide"@en ;
dbo:pubchem "14923"^^xsd:int ;
dbo:smiles "[NH4+].[OH-]" ;
dbp:inchikey "VHUUQVKOLVNVRT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001055 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NH4OH" ;
skos:prefLabel "ammoniumhydroxide"@nl .
csc:JTEDVYBZBROSJT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8617 ;
dbo:casNumber "65216-51-5" , "111150-79-9" , "133-32-4" ;
dbo:formula "C12H13NO2" ;
dbo:inchi "InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" ;
dbo:iupacName "4-(1H-indol-3-yl)butanoic acid"@en ;
dbo:pubchem "8617"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O" ;
dbp:inchikey "JTEDVYBZBROSJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004196 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indlbtzr" ;
skos:prefLabel "indolylboterzuur"@nl .
csc:LMVPQMGRYSRMIW-KRWDZBQOSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10403199 ;
dbo:casNumber "161326-34-7" ;
dbo:formula "C17H17N3OS" ;
dbo:inchi "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" ;
dbo:iupacName "(5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-(phenylamino)imidazol-4-one"@en ;
dbo:pubchem "10403199"^^xsd:int ;
dbo:smiles "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "LMVPQMGRYSRMIW-KRWDZBQOSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenmdn" ;
skos:prefLabel "fenamidon"@nl .
csc:SMDHCQAYESWHAE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2319 ;
dbo:casNumber "1861-40-1" ;
dbo:formula "C13H16F3N3O4" ;
dbo:inchi "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" ;
dbo:iupacName "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline"@en ;
dbo:pubchem "2319"^^xsd:int ;
dbo:smiles "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" ;
dbp:inchikey "SMDHCQAYESWHAE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:exactMatch wise:CAS_1861-40-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benfn" ;
skos:prefLabel "benefin"@nl ;
vcs:vmmParameterId "1477"^^xsd:int .
csc:GUMCAKKKNKYFEB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12487 ;
dbo:casNumber "636-30-6" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2" ;
dbo:iupacName "2,4,5-Trichloroaniline"@en ;
dbo:pubchem "12487"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)N" ;
dbp:inchikey "GUMCAKKKNKYFEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "245TClAn" ;
skos:prefLabel "2,4,5-trichlooraniline"@nl .
csc:OSUHJPCHFDQAIT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:53518 ;
dbo:casNumber "76578-14-8" , "89468-49-5" ;
dbo:formula "C19H17ClN2O4" ;
dbo:inchi "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3" ;
dbo:iupacName "ethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate"@en ;
dbo:pubchem "53518"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" ;
dbp:inchikey "OSUHJPCHFDQAIT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quizlfC2y" ;
skos:prefLabel "quizalofop-ethyl"@nl .
csc:IPRJXAGUEGOFGG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19241 ;
dbo:casNumber "3622-84-2" ;
dbo:formula "C10H15NO2S" ;
dbo:inchi "InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3" ;
dbo:iupacName "N-BUTYLBENZENESULFONAMIDE"@en ;
dbo:pubchem "19241"^^xsd:int ;
dbo:smiles "CCCCNS(=O)(=O)C1=CC=CC=C1" ;
dbp:inchikey "IPRJXAGUEGOFGG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yBensfAd" ;
skos:prefLabel "butylbenzeensulfonamide"@nl .
csc:IJFPVINAQGWBRJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33934 ;
dbo:casNumber "41375-90-0" , "25103-50-8" , "27554-26-3" , "1330-91-2" , "71097-28-4" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3" ;
dbo:iupacName "bis(6-methylheptyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "33934"^^xsd:int ;
dbo:smiles "CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C" ;
dbp:inchikey "IJFPVINAQGWBRJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC8yFt" ;
skos:prefLabel "di-isooctylftalaat"@nl .
csc:DYQBMRZOOXYHIM-NCKOGSTASA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5282243 ;
dbo:casNumber "64-75-5" ;
dbo:formula "C22H25ClN2O8" ;
dbo:inchi "InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3;1H/b20-14-;/t9-,10-,15-,21+,22-;/m0./s1" ;
dbo:iupacName "(2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride"@en ;
dbo:pubchem "5282243"^^xsd:int ;
dbo:smiles "CC1(C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.Cl" ;
dbp:inchikey "DYQBMRZOOXYHIM-NCKOGSTASA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4cycnHCl" ;
skos:prefLabel "tetracycline hydrochloride"@nl .
csc:XYBSIYMGXVUVGY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:95170 ;
dbo:casNumber "5436-43-1" ;
dbo:formula "C12H6Br4O" ;
dbo:inchi "InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H" ;
dbo:iupacName "2,4-dibromo-1-(2,4-dibromophenoxy)benzene"@en ;
dbo:pubchem "95170"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br" ;
dbp:inchikey "XYBSIYMGXVUVGY-UHFFFAOYSA-N" ;
skos:altLabel "2,2',4,4'-tetrabroomdifenylether"@nl , "bde 47"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_5436-43-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE47" ;
skos:prefLabel "2,2',4,4'-tetrabroomdifenylether (bde47)"@nl ;
vcs:vmmParameterId "930"^^xsd:int .
csc:BDOSMKKIYDKNTQ-OIOBTWANSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104782 ;
dbo:casNumber "14109-32-1" ;
dbo:formula "Cd" ;
dbo:inchi "InChI=1S/Cd/i1-3" ;
dbo:iupacName "cadmium-109"@en ;
dbo:pubchem "104782"^^xsd:int ;
dbo:smiles "[Cd]" ;
dbp:inchikey "BDOSMKKIYDKNTQ-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cd109" ;
skos:prefLabel "cadmium 109"@nl .
csc:KLMCZVJOEAUDNE-IGMARMGPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6337087 ;
dbo:casNumber "15756-98-6" ;
dbo:formula "Fr" ;
dbo:inchi "InChI=1S/Fr/i1+0" ;
dbo:iupacName "francium-223"@en ;
dbo:pubchem "6337087"^^xsd:int ;
dbo:smiles "[Fr]" ;
dbp:inchikey "KLMCZVJOEAUDNE-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fr223" ;
skos:prefLabel "francium 223"@nl .
csc:RLBIQVVOMOPOHC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4130 ;
dbo:casNumber "63653-66-7" , "298-00-0" , "37359-35-6" ;
dbo:formula "C8H10NO5PS" ;
dbo:inchi "InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3" ;
dbo:iupacName "dimethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "4130"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "RLBIQVVOMOPOHC-UHFFFAOYSA-N" ;
skos:altLabel "methylparathion"@nl ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_298-00-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yprton" ;
skos:prefLabel "parathion-methyl"@nl ;
vcs:vmmParameterId "508"^^xsd:int .
csc:LFNLGNPSGWYGGD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23933 ;
dbo:casNumber "7439-99-8" , "22541-66-8" , "22537-61-7" ;
dbo:formula "Np" ;
dbo:inchi "InChI=1S/Np" ;
dbo:iupacName "NEPTUNIUM"@en ;
dbo:pubchem "23933"^^xsd:int ;
dbo:smiles "[Np]" ;
dbp:inchikey "LFNLGNPSGWYGGD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Np" ;
skos:prefLabel "neptunium"@nl .
csc:OYEHPCDNVJXUIW-AHCXROLUSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104728 ;
dbo:casNumber "14119-33-6" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu/i1-4" ;
dbo:iupacName "plutonium-240"@en ;
dbo:pubchem "104728"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "OYEHPCDNVJXUIW-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu240" ;
skos:prefLabel "plutonium 240"@nl .
csc:NUKZAGXMHTUAFE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7824 ;
dbo:casNumber "106-70-7" ;
dbo:formula "C7H14O2" ;
dbo:inchi "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3" ;
dbo:iupacName "Methyl hexanoate"@en ;
dbo:pubchem "7824"^^xsd:int ;
dbo:smiles "CCCCCC(=O)OC" ;
dbp:inchikey "NUKZAGXMHTUAFE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC6yat" ;
skos:prefLabel "methylhexylaat"@nl .
csc:KUCPUSUXIGWHFB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:70535 ;
dbo:casNumber "1011-95-6" , "6381-06-2" ;
dbo:formula "C12H10Sn" ;
dbo:inchi "InChI=1S/2C6H5.Sn/c2*1-2-4-6-5-3-1;/h2*1-5H;" ;
dbo:iupacName "di(phenyl)tin"@en ;
dbo:pubchem "70535"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)[Sn]C2=CC=CC=C2" ;
dbp:inchikey "KUCPUSUXIGWHFB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "difenyltin"@nl .
csc:YKAVHPRGGAUFDN-JTQLBUQXSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:83949 ;
dbo:casNumber "23893-13-2" ;
dbo:formula "C37H65NO12" ;
dbo:inchi "InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1" ;
dbo:iupacName "(1S,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.2.1.11,4]hexadecan-7-one"@en ;
dbo:pubchem "83949"^^xsd:int ;
dbo:smiles "CCC1C2(C(C(C3(O2)C(CC(O3)(C(C(C(C(C(=O)O1)C)OC4CC(C(C(O4)C)O)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)C)C)C)O)C" ;
dbp:inchikey "YKAVHPRGGAUFDN-JTQLBUQXSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "anHertmcne" ;
skos:prefLabel "anhydro-erythromycine"@nl .
csc:HFPZCAJZSCWRBC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7463 ;
dbo:casNumber "4939-75-7" , "99-87-6" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" ;
dbo:iupacName "1-methyl-4-propan-2-ylbenzene"@en ;
dbo:pubchem "7463"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)C(C)C" ;
dbp:inchikey "HFPZCAJZSCWRBC-UHFFFAOYSA-N" ;
skos:altLabel "para-isopropyltolueen"@nl , "p-isopropyltolueen"@nl ;
skos:broader csc:CHEMONTID_0000051 ;
skos:exactMatch wise:CAS_99-87-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1iC3y4C1yBen" ;
skos:prefLabel "1-isopropyl-4-methyl-benzeen"@nl ;
vcs:vmmParameterId "662"^^xsd:int .
csc:IISBACLAFKSPIT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6623 ;
dbo:casNumber "80-05-7" , "28106-82-3" , "27100-33-0" , "137885-53-1" , "27360-89-0" , "37808-08-5" ;
dbo:formula "C15H16O2" ;
dbo:inchi "InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3" ;
dbo:iupacName "4-[2-(4-hydroxyphenyl)propan-2-yl]phenol"@en ;
dbo:pubchem "6623"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O" ;
dbp:inchikey "IISBACLAFKSPIT-UHFFFAOYSA-N" ;
skos:altLabel "bisfenol a"@nl , "bisfenol-a"@nl ;
skos:broader csc:CHEMONTID_0000143 ;
skos:exactMatch wise:CAS_80-05-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisFolA" ;
skos:prefLabel "bisfenol-A"@nl ;
vcs:vmmParameterId "900"^^xsd:int .
csc:FZXISNSWEXTPMF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22206 ;
dbo:casNumber "5915-41-3" , "63026-57-3" ;
dbo:formula "C9H16ClN5" ;
dbo:inchi "InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "22206"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C" ;
dbp:inchikey "FZXISNSWEXTPMF-UHFFFAOYSA-N" ;
skos:altLabel "terbuthylazine"@nl ;
skos:broader csc:CHEMONTID_0001693 ;
skos:exactMatch wise:CAS_5915-41-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terC4yazne" ;
skos:prefLabel "terbutylazine"@nl ;
vcs:vmmParameterId "281"^^xsd:int .
csc:XRHVZWWRFMCBAZ-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8519 ;
dbo:casNumber "129-67-9" , "145-73-3" , "11096-76-7" ;
dbo:formula "C8H8Na2O5" ;
dbo:inchi "InChI=1S/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2" ;
dbo:iupacName "disodium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate"@en ;
dbo:pubchem "8519"^^xsd:int ;
dbo:smiles "C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]" ;
dbp:inchikey "XRHVZWWRFMCBAZ-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endtl" ;
skos:prefLabel "endothal"@nl .
csc:UZUFPBIDKMEQEQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67821 ;
dbo:casNumber "375-95-1" ;
dbo:formula "C9HF17O2" ;
dbo:inchi "InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid"@en ;
dbo:pubchem "67821"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "UZUFPBIDKMEQEQ-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-nonaanzuur"@nl , "perfluor-n-nonaanzuur (pfna)"@nl , "perfluornonaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003958 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFNA" ;
skos:prefLabel "perfluornonaanzuur (pfna)"@nl .
csc:ISXSCDLOGDJUNJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15458 ;
dbo:casNumber "782475-36-9" , "1663-39-4" ;
dbo:formula "C7H12O2" ;
dbo:inchi "InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3" ;
dbo:iupacName "tert-butyl prop-2-enoate"@en ;
dbo:pubchem "15458"^^xsd:int ;
dbo:smiles "CC(C)(C)OC(=O)C=C" ;
dbp:inchikey "ISXSCDLOGDJUNJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ttC4yaclt" ;
skos:prefLabel "tertiair-butylacrylaat"@nl .
csc:YNWVFADWVLCOPU-MDWZMJQESA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436604 ;
dbo:casNumber "83657-22-1" , "76714-83-5" ;
dbo:formula "C15H18ClN3O" ;
dbo:inchi "InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+" ;
dbo:iupacName "(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol"@en ;
dbo:pubchem "6436604"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O" ;
dbp:inchikey "YNWVFADWVLCOPU-MDWZMJQESA-N" ;
skos:broader csc:CHEMONTID_0002754 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "uncnzl" ;
skos:prefLabel "uniconazool"@nl .
csc:ZMXIYERNXPIYFR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14315 ;
dbo:casNumber "27138-19-8" , "1127-76-0" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3" ;
dbo:iupacName "1-Ethylnaphthalene"@en ;
dbo:pubchem "14315"^^xsd:int ;
dbo:smiles "CCC1=CC=CC2=CC=CC=C21" ;
dbp:inchikey "ZMXIYERNXPIYFR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2yNaf" ;
skos:prefLabel "1-ethylnaftaleen"@nl .
csc:UREBDLICKHMUKA-CXSFZGCWSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5743 ;
dbo:casNumber "137098-19-2" , "8054-59-9" , "50-02-2" , "23495-06-9" ;
dbo:formula "C22H29FO5" ;
dbo:inchi "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1" ;
dbo:iupacName "(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "5743"^^xsd:int ;
dbo:smiles "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C" ;
dbp:inchikey "UREBDLICKHMUKA-CXSFZGCWSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dexmtsn" ;
skos:prefLabel "dexamethason"@nl .
csc:RWSOTUBLDIXVET-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3) 'zwavelwaterstof'"@nl , "VLAREM II bijlage 4.4.2 'zwavelwaterstof'"@nl , "VLAR III (D3, diverse art) 'H2S' en 'H2S-gehalte'"@nl , "VLAR II Art. 5.28.3.5.1 'H2S'"@nl , "VLAR II Art. 5.7.14.1"@nl ;
rdfs:seeAlso compound:402 ;
dbo:casNumber "12767-24-7" , "57035-13-9" , "7704-34-9" , "13465-07-1" , "7783-06-4" , "63705-05-5" , "56449-52-6" , "81032-32-8" , "12673-82-4" , "8050-82-6" , "56645-30-8" , "11144-15-3" , "56591-09-4" , "12684-31-0" ;
dbo:formula "H2S" ;
dbo:inchi "InChI=1S/H2S/h1H2" ;
dbo:iupacName "hydrogen sulfide"@en ;
dbo:pubchem "402"^^xsd:int ;
dbo:smiles "S" ;
dbp:inchikey "RWSOTUBLDIXVET-UHFFFAOYSA-N" ;
skos:altLabel "octylzwavel"@nl , "waterstofsulfide (H2S)"@nl ;
skos:broader csc:CHEMONTID_0000555 ;
skos:exactMatch wise:CAS_7783-06-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "S8" , "H2S" ;
skos:prefLabel "waterstofsulfide"@nl ;
vcs:vmmParameterId "1156"^^xsd:int .
csc:MGNCLNQXLYJVJD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7954 ;
dbo:casNumber "108-77-0" , "190086-22-7" ;
dbo:formula "C3Cl3N3" ;
dbo:inchi "InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1" ;
dbo:iupacName "2,4,6-Trichloro-1,3,5-triazine"@en ;
dbo:pubchem "7954"^^xsd:int ;
dbo:smiles "C1(=NC(=NC(=N1)Cl)Cl)Cl" ;
dbp:inchikey "MGNCLNQXLYJVJD-UHFFFAOYSA-N" ;
skos:altLabel "cyanuurzuurchloride"@nl ;
skos:broader csc:CHEMONTID_0004721 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CNuzCl" ;
skos:prefLabel "2,4,6-trichloor-1,3,5-triazine"@nl .
csc:PQKBPHSEKWERTG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:47938 ;
dbo:casNumber "82110-72-3" , "87714-45-2" , "66441-23-4" ;
dbo:formula "C18H16ClNO5" ;
dbo:inchi "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" ;
dbo:iupacName "ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate"@en ;
dbo:pubchem "47938"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" ;
dbp:inchikey "PQKBPHSEKWERTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenOapC2y" ;
skos:prefLabel "fenoxaprop-ethyl"@nl .
csc:ZMWGIGHRZQTQRE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16002 ;
dbo:casNumber "1929-73-3" ;
dbo:formula "C14H18Cl2O4" ;
dbo:inchi "InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3" ;
dbo:iupacName "2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "16002"^^xsd:int ;
dbo:smiles "CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "ZMWGIGHRZQTQRE-UHFFFAOYSA-N" ;
skos:altLabel "2,4-D butoxyethylester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC4oxC2yEs" ;
skos:prefLabel "2,4-d butoxyethylester"@nl .
csc:ZOWMRHVAQGTFTG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:99813 ;
dbo:casNumber "10118-32-8" ;
dbo:formula "C62H85N11O16" ;
dbo:inchi "InChI=1S/C62H85N11O16/c1-28(2)43-59(83)72-23-17-19-38(72)57(81)68(13)26-41(75)70(15)49(30(5)6)61(85)87-34(11)45(55(79)64-43)66-53(77)36-22-21-32(9)51-47(36)63-48-37(25-40(74)33(10)52(48)89-51)54(78)67-46-35(12)88-62(86)50(31(7)8)71(16)42(76)27-69(14)58(82)39-20-18-24-73(39)60(84)44(29(3)4)65-56(46)80/h21-22,25,28-31,34-35,38-39,43-46,49-50H,17-20,23-24,26-27H2,1-16H3,(H,64,79)(H,65,80)(H,66,77)(H,67,78)" ;
dbo:iupacName "4,6-dimethyl-3-oxo-N,N'-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide"@en ;
dbo:pubchem "99813"^^xsd:int ;
dbo:smiles "CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C" ;
dbp:inchikey "ZOWMRHVAQGTFTG-UHFFFAOYSA-N" ;
skos:altLabel "2-deaminoactinomycine d"@nl ;
skos:broader csc:CHEMONTID_0001994 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2dAoatnmcnD" ;
skos:prefLabel "2-deaminoactinomycine D"@nl .
csc:JFALSRSLKYAFGM-NOHWODKXSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:177622 ;
dbo:casNumber "15700-08-0" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U/i1-7" ;
dbo:iupacName "uranium-231"@en ;
dbo:pubchem "177622"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "JFALSRSLKYAFGM-NOHWODKXSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U231" ;
skos:prefLabel "uranium 231"@nl .
csc:BOTWFXYSPFMFNR-HMMYKYKNSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5366244 ;
dbo:casNumber "102608-53-7" ;
dbo:formula "C20H40O" ;
dbo:inchi "InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+" ;
dbo:iupacName "['(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol', '3,7,11,15-Tetramethylhexadec-2-en-1-ol']"@en ;
dbo:pubchem "5366244"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C" ;
dbp:inchikey "BOTWFXYSPFMFNR-HMMYKYKNSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "371115T4C1y2" ;
skos:prefLabel "3,7,11,15-tetramethyl-2-hexadecen-1-ol"@nl .
csc:QQINRWTZWGJFDB-OUBTZVSYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:105063 ;
dbo:casNumber "14331-83-0" ;
dbo:formula "Ac" ;
dbo:inchi "InChI=1S/Ac/i1+1" ;
dbo:iupacName "actinium-228"@en ;
dbo:pubchem "105063"^^xsd:int ;
dbo:smiles "[Ac]" ;
dbp:inchikey "QQINRWTZWGJFDB-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ac228" ;
skos:prefLabel "actinium 228"@nl .
csc:SVONRAPFKPVNKG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8095 ;
dbo:casNumber "111-15-9" ;
dbo:formula "C6H12O3" ;
dbo:inchi "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" ;
dbo:iupacName "2-Ethoxyethyl acetate"@en ;
dbo:pubchem "8095"^^xsd:int ;
dbo:smiles "CCOCCOC(=O)C" ;
dbp:inchikey "SVONRAPFKPVNKG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2oxC2yactt" ;
skos:prefLabel "ethoxyethylacetaat"@nl .
csc:MCJGNVYPOGVAJF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1923 ;
dbo:casNumber "123574-67-4" , "148-24-3" , "24804-14-6" ;
dbo:formula "C9H7NO" ;
dbo:inchi "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" ;
dbo:iupacName "quinolin-8-ol"@en ;
dbo:pubchem "1923"^^xsd:int ;
dbo:smiles "C1=CC2=C(C(=C1)O)N=CC=C2" ;
dbp:inchikey "MCJGNVYPOGVAJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003953 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "8chinlnl" ;
skos:prefLabel "8-chinolinol"@nl .
csc:WWRCMNKATXZARA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10703 ;
dbo:casNumber "25155-15-1" , "52857-36-0" , "527-84-4" , "8023-69-6" , "1329-98-2" , "40356-70-5" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3" ;
dbo:iupacName "1-methyl-2-propan-2-ylbenzene"@en ;
dbo:pubchem "10703"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1C(C)C" ;
dbp:inchikey "WWRCMNKATXZARA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y21C1yC2y" ;
skos:prefLabel "1-methyl-2-(1-methylethyl)-benzeen (o-cymeen)"@nl .
csc:NHGXDBSUJJNIRV-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:70681 ;
dbo:casNumber "25147-59-5" , "1112-67-0" ;
dbo:formula "C16H36ClN" ;
dbo:inchi "InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetrabutylazanium chloride"@en ;
dbo:pubchem "70681"^^xsd:int ;
dbo:smiles "CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]" ;
dbp:inchikey "NHGXDBSUJJNIRV-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C4yNH4Cl" ;
skos:prefLabel "tetrabutylammoniumchloride"@nl .
csc:NCKMMSIFQUPKCK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8425 ;
dbo:casNumber "144246-47-9" , "8013-49-8" , "120-32-1" ;
dbo:formula "C13H11ClO" ;
dbo:inchi "InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2" ;
dbo:iupacName "4-Chloro-2-(phenylmethyl)phenol"@en ;
dbo:pubchem "8425"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O" ;
dbp:inchikey "NCKMMSIFQUPKCK-UHFFFAOYSA-N" ;
skos:altLabel "4-chloor-2-benzylfenol"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clfn" ;
skos:prefLabel "chlorofeen"@nl .
csc:VGEOUKPOQQEQSX-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32325 ;
dbo:casNumber "21593-23-7" ;
dbo:formula "C17H16N3NaO6S2" ;
dbo:inchi "InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1" ;
dbo:iupacName "sodium 3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "32325"^^xsd:int ;
dbo:smiles "CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)[O-].[Na+]" ;
dbp:inchikey "VGEOUKPOQQEQSX-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004411 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cefapirine"@nl .
csc:PQKBPHSEKWERTG-LLVKDONJSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91707 ;
dbo:casNumber "71283-80-2" ;
dbo:formula "C18H16ClNO5" ;
dbo:inchi "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" ;
dbo:iupacName "ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate"@en ;
dbo:pubchem "91707"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" ;
dbp:inchikey "PQKBPHSEKWERTG-LLVKDONJSA-N" ;
skos:altLabel "fenoxaprop-p-ethyl"@nl ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenxppPC2y" ;
skos:prefLabel "fenoxaprop-P-ethyl"@nl .
csc:HUBANNPOLNYSAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15553 ;
dbo:casNumber "1702-17-6" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" ;
dbo:iupacName "3,6-Dichloropyridine-2-carboxylic acid"@en ;
dbo:pubchem "15553"^^xsd:int ;
dbo:smiles "C1=CC(=NC(=C1Cl)C(=O)O)Cl" ;
dbp:inchikey "HUBANNPOLNYSAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002414 ;
skos:exactMatch wise:CAS_1702-17-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cloprld" ;
skos:prefLabel "clopyralid"@nl ;
vcs:vmmParameterId "2148"^^xsd:int .
csc:WIBFFTLQMKKBLZ-SEYXRHQNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5354342 ;
dbo:casNumber "142-77-8" ;
dbo:formula "C22H42O2" ;
dbo:inchi "InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-" ;
dbo:iupacName "butyl (Z)-octadec-9-enoate"@en ;
dbo:pubchem "5354342"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCC(=O)OCCCC" ;
dbp:inchikey "WIBFFTLQMKKBLZ-SEYXRHQNSA-N" ;
skos:altLabel "(Z)-9-octadeceenzuur butylester"@nl ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Z-9C18ezrC4y" ;
skos:prefLabel "(z)-9-octadeceenzuur butylester"@nl .
csc:HTQMVQVXFRQIKW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2541 ;
dbo:casNumber "139481-59-7" ;
dbo:formula "C24H20N6O3" ;
dbo:inchi "InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)" ;
dbo:iupacName "2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid"@en ;
dbo:pubchem "2541"^^xsd:int ;
dbo:smiles "CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O" ;
dbp:inchikey "HTQMVQVXFRQIKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "candstn" ;
skos:prefLabel "candesartan"@nl .
csc:GNSFRPWPOGYVLO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17694 ;
dbo:casNumber "68298-92-0" , "39420-45-6" , "50858-50-9" , "55844-66-1" , "72146-59-9" , "2761-09-3" , "111173-57-0" , "78736-62-6" ;
dbo:formula "C7H12O3" ;
dbo:inchi "InChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3" ;
dbo:iupacName "3-hydroxypropyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "17694"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)OCCCO" ;
dbp:inchikey "GNSFRPWPOGYVLO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3HOC3ymtclt" ;
skos:prefLabel "3-hydroxypropylmethacrylaat"@nl .
csc:BMLIZLVNXIYGCK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8800 ;
dbo:casNumber "150-68-5" ;
dbo:formula "C9H11ClN2O" ;
dbo:inchi "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" ;
dbo:iupacName "3-(4-Chlorophenyl)-1,1-dimethylurea"@en ;
dbo:pubchem "8800"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)Cl" ;
dbp:inchikey "BMLIZLVNXIYGCK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_150-68-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "monrn" ;
skos:prefLabel "monuron"@nl ;
vcs:vmmParameterId "973"^^xsd:int .
csc:PRPINYUDVPFIRX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6862 ;
dbo:casNumber "61913-11-9" , "86-87-3" , "26445-01-2" ;
dbo:formula "C12H10O2" ;
dbo:inchi "InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" ;
dbo:iupacName "2-naphthalen-1-ylacetic acid"@en ;
dbo:pubchem "6862"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2CC(=O)O" ;
dbp:inchikey "PRPINYUDVPFIRX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1NafHAc" ;
skos:prefLabel "1-naftaleenazijnzuur"@nl .
csc:RRLGETDMEIMLQU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3032832 ;
dbo:casNumber "106400-82-2" , "27176-93-8" ;
dbo:formula "C19H32O3" ;
dbo:inchi "InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3" ;
dbo:iupacName "2-[2-(2-nonylphenoxy)ethoxy]ethanol"@en ;
dbo:pubchem "3032832"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCO" ;
dbp:inchikey "RRLGETDMEIMLQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO2" ;
skos:prefLabel "nonylfenoldiethoxylaat"@nl .
csc:NXXYKOUNUYWIHA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11335 ;
dbo:casNumber "576-26-1" , "25134-01-4" , "50356-22-4" , "28449-96-9" , "1300-71-6" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3" ;
dbo:iupacName "2,6-Dimethylphenol"@en ;
dbo:pubchem "11335"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)O" ;
dbp:inchikey "NXXYKOUNUYWIHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:exactMatch wise:CAS_576-26-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1yFol" ;
skos:prefLabel "2,6-dimethylfenol"@nl ;
vcs:vmmParameterId "701"^^xsd:int .
csc:RGCLLPNLLBQHPF-HJWRWDBZSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3032604 ;
dbo:casNumber "23783-98-4" , "13171-21-6" ;
dbo:formula "C10H19ClNO5P" ;
dbo:inchi "InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8-" ;
dbo:iupacName "['(3-chloro-4-diethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '(3-chloro-4-diethylamino-4-oxobut-2-en-2-yl)oxy-hydroxy-dimethoxyphosphanium', '[(Z)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate']"@en ;
dbo:pubchem "3032604"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl" ;
dbp:inchikey "RGCLLPNLLBQHPF-HJWRWDBZSA-N" ;
skos:altLabel "cis-fosfamidon"@nl ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosfmdn" , "cfosfmdn" ;
skos:prefLabel "fosfamidon"@nl .
csc:PHSUVQBHRAWOQD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37523 ;
dbo:casNumber "36756-79-3" ;
dbo:formula "C16H25NOS" ;
dbo:inchi "InChI=1S/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3" ;
dbo:iupacName "S-(phenylmethyl) (di(butan-2-yl)amino)methanethioate"@en ;
dbo:pubchem "37523"^^xsd:int ;
dbo:smiles "CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1" ;
dbp:inchikey "PHSUVQBHRAWOQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tocbzl" ;
skos:prefLabel "tiocarbazil"@nl .
csc:XGYLSRFSXKAYCR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12007 ;
dbo:casNumber "615-65-6" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3" ;
dbo:iupacName "2-Chloro-4-methylaniline"@en ;
dbo:pubchem "12007"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N)Cl" ;
dbp:inchikey "XGYLSRFSXKAYCR-UHFFFAOYSA-N" ;
skos:altLabel "2-chloor-para-tolu\uFFFDdine"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:exactMatch wise:CAS_615-65-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl4C1yAn" ;
skos:prefLabel "2-chloor-4-methylaniline"@nl ;
vcs:vmmParameterId "767"^^xsd:int .
csc:FBOZXECLQNJBKD-ZDUSSCGKSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:126941 ;
dbo:casNumber "59-05-2" ;
dbo:formula "C20H22N8O5" ;
dbo:inchi "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1" ;
dbo:iupacName "(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid"@en ;
dbo:pubchem "126941"^^xsd:int ;
dbo:smiles "CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O" ;
dbp:inchikey "FBOZXECLQNJBKD-ZDUSSCGKSA-N" ;
skos:broader csc:CHEMONTID_0004323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mettxt" ;
skos:prefLabel "methotrexaat"@nl .
csc:CXBDYQVECUFKRK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12338 ;
dbo:casNumber "628-28-4" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" ;
dbo:iupacName "1-Methoxybutane"@en ;
dbo:pubchem "12338"^^xsd:int ;
dbo:smiles "CCCCOC" ;
dbp:inchikey "CXBDYQVECUFKRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1oxC4a" ;
skos:prefLabel "1-methoxybutaan"@nl .
csc:CMVQZRLQEOAYSW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:18555 ;
dbo:casNumber "3209-22-1" , "27900-75-0" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H" ;
dbo:iupacName "1,2-Dichloro-3-nitrobenzene"@en ;
dbo:pubchem "18555"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "CMVQZRLQEOAYSW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_3209-22-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClNO2Ben" ;
skos:prefLabel "2,3-dichloornitrobenzeen"@nl ;
vcs:vmmParameterId "774"^^xsd:int .
csc:BQENMISTWGTJIJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:51075 ;
dbo:casNumber "70424-69-0" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-3-1-2-6(4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(3-chlorophenyl)benzene"@en ;
dbo:pubchem "51075"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "BQENMISTWGTJIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB107" ;
skos:prefLabel "2,3,3',4,5-pentachloorbifenyl"@nl .
csc:GETQZCLCWQTVFV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1146 ;
dbo:casNumber "4558-12-7" , "75-50-3" ;
dbo:formula "C3H9N" ;
dbo:inchi "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" ;
dbo:iupacName "N,N-dimethylmethanamine"@en ;
dbo:pubchem "1146"^^xsd:int ;
dbo:smiles "CN(C)C" ;
dbp:inchikey "GETQZCLCWQTVFV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yAe" ;
skos:prefLabel "trimethylamine"@nl .
csc:SKBBQSLSGRSQAJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13888 ;
dbo:casNumber "1009-61-6" ;
dbo:formula "C10H10O2" ;
dbo:inchi "InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3" ;
dbo:iupacName "1-(4-acetylphenyl)ethanone"@en ;
dbo:pubchem "13888"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=C(C=C1)C(=O)C" ;
dbp:inchikey "SKBBQSLSGRSQAJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DactBen" ;
skos:prefLabel "1,4-diacetylbenzeen"@nl .
csc:APQSQLNWAIULLK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11304 ;
dbo:casNumber "571-58-4" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" ;
dbo:iupacName "1,4-Dimethylnaphthalene"@en ;
dbo:pubchem "11304"^^xsd:int ;
dbo:smiles "CC1=CC=C(C2=CC=CC=C12)C" ;
dbp:inchikey "APQSQLNWAIULLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC1yNaf" ;
skos:prefLabel "1,4-dimethylnaftaleen"@nl .
csc:HVGRZDASOHMCSK-AVQMFFATSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5282807 ;
dbo:casNumber "7370-49-2" ;
dbo:formula "C22H40O2" ;
dbo:inchi "InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6+,10-9+" ;
dbo:iupacName "(13E,16E)-docosa-13,16-dienoic acid"@en ;
dbo:pubchem "5282807"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "HVGRZDASOHMCSK-AVQMFFATSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c1316C22aDzr" ;
skos:prefLabel "cis-13,16-docosadieenzuur"@nl .