{ "@graph": [ { "@id": "csc:WGTYBPLFGIVFAS-UHFFFAOYSA-M", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C[N+](C)(C)C.[OH-]", "dbo:formula": "C4H13NO", "dbo:iupacName": { "@language": "en", "@value": "tetramethylazanium hydroxide" }, "dbo:casNumber": [ "104422-11-9", "105468-35-7", "154636-59-6", "75-59-2", "129654-61-1", "78017-87-5", "93615-68-0" ], "dbo:pubchem": { "@value": "60966", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "file:///tmp/css_CHEMONTID_0004225" }, "dbp:inchikey": "InChIKey=WGTYBPLFGIVFAS-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "tetramethylammoniumhydroxide" }, "rdfs:seeAlso": { "@id": "compound:60966" }, "dbo:inchi": "InChI=1S/C4H12N.H2O/c1-5(2,3)4;/h1-4H3;1H2/q+1;/p-1" }, { "@id": "vlcs:chemische_stof", "skos:prefLabel": { "@language": "nl", "@value": "Conceptschema Chemische Stoffen" }, "skos:definition": { "@language": "nl", "@value": "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." }, "xkos:belongsTo": { "@id": "omg_dataset:codelijst-chemische_stof" }, "@type": "skos:ConceptScheme" }, { "@id": "csc:GDOPTJXRTPNYNR-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "methylcyclopentaan" }, "rdfs:seeAlso": { "@id": "compound:7296" }, "dbo:formula": "C6H12", "dbo:pubchem": { "@value": "7296", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3", "dbo:casNumber": [ "5310-57-6", "96-37-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "C1yccC5a", "dbo:iupacName": { "@language": "en", "@value": "Methylcyclopentane" }, "skos:broader": { "@id": "csc:CHEMONTID_0001016" }, "dbo:smiles": "CC1CCCC1", "dbp:inchikey": "InChIKey=GDOPTJXRTPNYNR-UHFFFAOYSA-N" }, { "@id": "csc:YCOZIPAWZNQLMR-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C15H32", "rdfs:seeAlso": { "@id": "compound:12391" }, "skos:prefLabel": { "@language": "nl", "@value": "n-pentadecaan" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "12391", "@type": "xsd:int" }, "skos:notation": "NC15a", "dbp:inchikey": "InChIKey=YCOZIPAWZNQLMR-UHFFFAOYSA-N", "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": { "@language": "en", "@value": "Pentadecane" }, "dbo:smiles": "CCCCCCCCCCCCCCC", "dbo:casNumber": "629-62-9" }, { "@id": "csc:QEFYFXOXNSNQGX-UHFFFAOYSA-N", "dbo:smiles": "[Nd]", "skos:notation": "Nd", "dbp:inchikey": "InChIKey=QEFYFXOXNSNQGX-UHFFFAOYSA-N", "dbo:casNumber": [ "7440-00-8", "42320-27-4", "110123-51-8" ], "rdfs:seeAlso": { "@id": "compound:23934" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "neodymium" }, "dbo:iupacName": { "@language": "en", "@value": "NEODYMIUM" }, "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:pubchem": { "@value": "23934", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/Nd", "dbo:formula": "Nd" }, { "@id": "csc:UHCLFIWDCYOTOL-UHFFFAOYSA-N", "dbo:casNumber": "52663-63-5", "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", "rdfs:seeAlso": { "@id": "compound:40471" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,5,5',6-hexachloorbifenyl" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene" }, "dbo:formula": "C12H4Cl6", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "40471", "@type": "xsd:int" }, "dbp:inchikey": "InChIKey=UHCLFIWDCYOTOL-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl", "skos:notation": "PCB151", "skos:broader": { "@id": "csc:CHEMONTID_0003030" } }, { "@id": "csc:YGUFQYGSBVXPMC-UHFFFAOYSA-N", "dbo:casNumber": "6358-64-1", "dbo:smiles": "COC1=CC(=C(C=C1N)OC)Cl", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "4-Chloro-2,5-dimethoxyaniline" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,5-dimethoxy-4-chlooraniline" }, "rdfs:seeAlso": { "@id": "compound:22833" }, "skos:broader": { "@id": "csc:CHEMONTID_0004111" }, "dbo:inchi": "InChI=1S/C8H10ClNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3", "dbo:formula": "C8H10ClNO2", "dbo:pubchem": { "@value": "22833", "@type": "xsd:int" }, "dbp:inchikey": "InChIKey=YGUFQYGSBVXPMC-UHFFFAOYSA-N" }, { "@id": "csc:JJWIOXUMXIOXQN-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001016" }, "skos:prefLabel": { "@language": "nl", "@value": "cyclohexadecaan" }, "skos:notation": "cycC16a", "dbo:smiles": "C1CCCCCCCCCCCCCCC1", "rdfs:seeAlso": { "@id": "compound:67526" }, "dbp:inchikey": "InChIKey=JJWIOXUMXIOXQN-UHFFFAOYSA-N", "dbo:casNumber": "295-65-8", "dbo:formula": "C16H32", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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": { "@language": "en", "@value": "Cyclohexadecane" }, "dbo:pubchem": { "@value": "67526", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:GKWYMWZWSCKSMT-UHFFFAOYSA-N", "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", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CC(CC1=CC=C(C=C1)F)N.Cl", "dbo:formula": "C9H13ClFN", "skos:broader": { "@id": "csc:CHEMONTID_0000188" }, "dbo:casNumber": [ "459-02-9", "459-01-8" ], "rdfs:seeAlso": { "@id": "compound:120675" }, "skos:prefLabel": { "@language": "nl", "@value": "4-fluoramfetamine" }, "skos:notation": "4FamfAe", "dbp:inchikey": "InChIKey=GKWYMWZWSCKSMT-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "120675", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1-(4-fluorophenyl)propan-2-amine hydrochloride" } }, { "@id": "csc:ORSUTASIQKBEFU-UHFFFAOYSA-N", "dbo:smiles": "CCCCN(CC)CC", "skos:prefLabel": { "@language": "nl", "@value": "diethylbutylamine" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "DC2yC4yAe", "skos:broader": { "@id": "csc:CHEMONTID_0002239" }, "dbo:iupacName": { "@language": "en", "@value": "N,N-diethylbutan-1-amine" }, "dbo:casNumber": "4444-68-2", "dbp:inchikey": "InChIKey=ORSUTASIQKBEFU-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3", "dbo:pubchem": { "@value": "20513", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:20513" }, "dbo:formula": "C8H19N" }, { "@id": "csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl", "skos:altLabel": [ { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzo-p-dioxine" }, { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzodioxine" }, { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzo-para-dioxine" }, { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzodioxine (hxcdd)" } ], "skos:broader": { "@id": "csc:CHEMONTID_0000420" }, "skos:notation": "PCDD70", "skos:prefLabel": { "@language": "nl", "@value": " 1,2,3,7,8,9-hexachloordibenzodioxine" }, "dbo:casNumber": "19408-74-3", "dct:isReferencedBy": { "@id": "co:LUC_VI_002" }, "vcs:vmmParameterId": { "@value": "1250", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II+ bijlagen" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" } ], "dbp:inchikey": "InChIKey=LGIRBUBHIWTVCK-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_19408-74-3" }, "dbo:pubchem": { "@value": "29575", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,7,8,9-hexachlorooxanthrene" }, "dbo:formula": "C12H2Cl6O2", "rdfs:seeAlso": { "@id": "compound:29575" }, "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" }, { "@id": "csc:ZKLPARSLTMPFCP-UHFFFAOYSA-N", "dbo:casNumber": "83881-51-0", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=ZKLPARSLTMPFCP-UHFFFAOYSA-N", "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)", "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "2678", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "cetirizine" }, "dbo:formula": "C21H25ClN2O3", "skos:notation": "cetrzne", "dbo:iupacName": { "@language": "en", "@value": "2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid" }, "dbo:smiles": "C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl", "rdfs:seeAlso": { "@id": "compound:2678" } }, { "@id": "csc:AHUWMUAVZFJTOC-HNQUOIGGSA-N", "dbo:pubchem": { "@value": "6433386", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:notation": "3Br1ClC3e", "dbo:inchi": "InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2/b3-1+", "rdfs:seeAlso": { "@id": "compound:6433386" }, "skos:prefLabel": { "@language": "nl", "@value": "3-broom-1-chloorpropeen" }, "dbo:formula": "C3H4BrCl", "dbo:casNumber": "3737-00-6", "dbp:inchikey": "InChIKey=AHUWMUAVZFJTOC-HNQUOIGGSA-N", "dbo:iupacName": { "@language": "en", "@value": "(E)-3-bromo-1-chloroprop-1-ene" }, "dbo:smiles": "C(C=CCl)Br", "skos:broader": { "@id": "csc:CHEMONTID_0002863" } }, { "@id": "csc:LXQXZNRPTYVCNG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Am", "dbo:casNumber": [ "7440-35-9", "22541-46-4" ], "dbo:smiles": "[Am]", "dbo:iupacName": { "@language": "en", "@value": "AMERICIUM" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/Am", "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "rdfs:seeAlso": { "@id": "compound:23966" }, "dbp:inchikey": "InChIKey=LXQXZNRPTYVCNG-UHFFFAOYSA-N", "skos:notation": "Am", "skos:prefLabel": { "@language": "nl", "@value": "americium" }, "dbo:pubchem": { "@value": "23966", "@type": "xsd:int" } }, { "@id": "csc:FSPSELPMWGWDRY-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "11455", "@type": "xsd:int" }, "dbo:casNumber": 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"@id": "csc:CHEMONTID_0000296" }, "dbo:smiles": "CCCC1=CC2=C(C=C1)OCO2", "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", "rdfs:seeAlso": { "@id": "compound:7197" }, "dbp:inchikey": "InChIKey=MYEIDJPOUKASEC-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "5-Propyl-1,3-benzodioxole" } }, { "@id": "csc:MZGNSEAPZQGJRB-UHFFFAOYSA-N", "dbo:smiles": "CN(C)C(=S)S", "dbp:inchikey": "InChIKey=MZGNSEAPZQGJRB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6599", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000004" }, "dbo:iupacName": { "@language": "en", "@value": "dimethylaminomethanedithioic acid" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:6599" }, "skos:notation": "DC1yDtocbmt", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)", "dbo:formula": "C3H7NS2", "skos:prefLabel": { "@language": "nl", 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"csc:GRKDVZMVHOLESV-UHFFFAOYSA-N", "skos:notation": "PeBrFyC1yacl", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:101059" }, "dbp:inchikey": "InChIKey=GRKDVZMVHOLESV-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "(pentabroomfenyl)methylacrylaat" }, "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:casNumber": "59447-55-1", "dbo:smiles": "C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br", "dbo:pubchem": { "@value": "101059", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "(2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001097" } }, { "@id": "csc:OGPBJKLSAFTDLK-NJFSPNSNSA-N", "dbp:inchikey": "InChIKey=OGPBJKLSAFTDLK-NJFSPNSNSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], 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"vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=GPTVQTPMFOLLOA-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-CHLORO-2-ETHOXYETHANE" }, "rdfs:seeAlso": { "@id": "compound:12341" }, "dbo:inchi": "InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3", "dbo:pubchem": { "@value": "12341", "@type": "xsd:int" }, "dbo:smiles": "CCOCCCl", "skos:prefLabel": { "@language": "nl", "@value": "2-chloorethylether" }, "dbo:casNumber": "628-34-2", "skos:notation": "2ClEyEtr", "skos:broader": { "@id": "csc:CHEMONTID_0001167" } }, { "@id": "csc:FSCWZHGZWWDELK-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "vinclozolin" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=FSCWZHGZWWDELK-UHFFFAOYSA-N", "skos:notation": "vinczln", "dbo:smiles": "CC1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C=C", "dbo:pubchem": { "@value": "39676", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", 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"294709", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "3-Ethyltetracosane" }, "dbo:casNumber": "55282-17-2", "skos:notation": "3C2yC24a", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "InChIKey=HCYGJXYCUXDCHD-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "3-ethyltetracosaan" }, "dbo:smiles": "CCCCCCCCCCCCCCCCCCCCCC(CC)CC", "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", "rdfs:seeAlso": { "@id": "compound:294709" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C26H54" }, { "@id": "csc:RIWRBSMFKVOJMN-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7531" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methyl-1-fenyl-2-propanol" }, "skos:notation": "2C1y1Fy2C3ol", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, 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"csc:YBNLWIZAWPBUKQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "trichloro-(trichloromethylsulfonyl)methane" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8", "skos:prefLabel": { "@language": "nl", "@value": "bis(trichloormethyl)sulfon" }, "dbo:casNumber": "3064-70-8", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "bisTClC1ysfn", "dbo:formula": "C2Cl6O2S", "skos:broader": { "@id": "csc:CHEMONTID_0000505" }, "dbp:inchikey": "InChIKey=YBNLWIZAWPBUKQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "62478", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:62478" }, "dbo:smiles": "C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl" }, { "@id": "csc:CWJSHJJYOPWUGX-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CC(C)OC(=O)NC1=CC(=CC=C1)Cl", "dbo:formula": 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"dbo:formula": "C7H3Br5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "26101-97-3", "87-83-2" ], "skos:prefLabel": { "@language": "nl", "@value": "pentabroomtolueen" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "6906", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001098" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentabromo-6-methylbenzene" }, "dbo:smiles": "CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br", "dbp:inchikey": "InChIKey=OZHJEQVYCBTHJT-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6906" }, "dbo:inchi": "InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3" }, { "@id": "csc:CUDYYMUUJHLCGZ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H16O3/c1-6(4-8)10-5-7(2)9-3/h6-8H,4-5H2,1-3H3", "dbo:casNumber": [ "13588-28-8", "112388-78-0", "83730-60-3", "197632-43-2", "12002-35-6", "104512-57-4", "34590-94-8" ], "skos:notation": [ "22C1oxC3ox1C", "DC3yegcC1yEt" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2-methoxypropoxy)propan-1-ol" }, "dbo:smiles": "CC(CO)OCC(C)OC", "rdfs:seeAlso": { "@id": "compound:25485" }, "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbp:inchikey": "InChIKey=CUDYYMUUJHLCGZ-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "2-(2-methoxypropoxy)-1-propanol" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "dipropyleenglycolmonomethylether" }, "dbo:formula": "C7H16O3", "dbo:pubchem": { "@value": "25485", "@type": "xsd:int" } }, { "@id": "csc:JTUSORDQZVOEAZ-UHFFFAOYSA-N", "dbp:inchikey": "InChIKey=JTUSORDQZVOEAZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "38881", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl", "dbo:formula": "C12H5Cl5", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:38881" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4-trichloro-5-(2,3-dichlorophenyl)benzene" }, "dbo:casNumber": "41464-51-1", "skos:notation": "PCB97", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,4',5'-pentachloorbifenyl" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0003030" } }, { "@id": "csc:QBAYIBZITZBSFO-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:67759" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=QBAYIBZITZBSFO-UHFFFAOYSA-N", "dbo:casNumber": "360-64-5", "dbo:smiles": "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0004551" }, "dbo:pubchem": { "@value": "67759", "@type": "xsd:int" }, "skos:notation": "2TFC1yBenAd", "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": { "@language": "en", "@value": "2-(Trifluoromethyl)benzamide" }, "dbo:formula": "C8H6F3NO", "skos:prefLabel": { "@language": "nl", "@value": "2-trifluoromethylbenzamide" } }, { "@id": "csc:VYZAMTAEIAYCRO-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" } ], "dbo:casNumber": [ "7440-47-3", "19498-56-7", "195161-82-1", "188785-87-7" ], "skos:altLabel": [ { "@language": "nl", "@value": "chroom" }, { "@language": "nl", "@value": "chroom (cr)" }, { "@language": "nl", "@value": "chroom, opgelost" } ], "skos:notation": "Cr", "vcs:vmmParameterId": [ { "@value": "1929", "@type": "xsd:int" }, { "@value": "154", "@type": "xsd:int" }, { "@value": "155", "@type": "xsd:int" }, { "@value": "153", "@type": "xsd:int" } ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "InChIKey=VYZAMTAEIAYCRO-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II D5 'chroom en zijn verbindingen uitgedrukt in Cr' en 'chroom en chroomverbindingen, uitgedrukt als chroom (Cr)'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'chroom en zijn verbindingen, uitgedrukt in Cr'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Cr'" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Cr", "dbo:formula": "Cr", "dbo:pubchem": { "@value": "23976", "@type": "xsd:int" }, "dbo:smiles": "[Cr]", "rdfs:seeAlso": { "@id": "compound:23976" }, "skos:prefLabel": { "@language": "nl", "@value": "Chroom (Cr)" }, "dbo:iupacName": { "@language": "en", "@value": "Chromium" }, "skos:definition": { "@language": "nl", "@value": "chroom en chroomverbindingen, uitgedrukt als chroom (Cr)" }, "skos:exactMatch": { "@id": "wise:CAS_7440-47-3" } }, { "@id": "csc:DAIIXVPKQATIMF-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1,2,2-TRICHLOROPROPANE" }, "dbp:inchikey": "InChIKey=DAIIXVPKQATIMF-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C3H5Cl3", "dbo:pubchem": { "@value": "18505", "@type": "xsd:int" }, "skos:notation": "122TClC3a", "dbo:inchi": "InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "1,2,2-trichloorpropaan" }, "rdfs:seeAlso": { "@id": "compound:18505" }, "dbo:smiles": "CC(CCl)(Cl)Cl", "dbo:casNumber": "3175-23-3" }, { "@id": "csc:SPFYMRJSYKOXGV-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:71188" }, "dbo:pubchem": { "@value": "71188", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "enrofloxacine" }, "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "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)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C19H22FN3O3", "skos:notation": "enrfxcne", "dbo:casNumber": "93106-60-6", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "InChIKey=SPFYMRJSYKOXGV-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid" }, "dbo:smiles": "CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F" }, { "@id": "csc:KZBUYRJDOAKODT-UHFFFAOYSA-N", "dbp:inchikey": "InChIKey=KZBUYRJDOAKODT-UHFFFAOYSA-N", "dbo:smiles": "ClCl", "dbo:pubchem": { "@value": "24526", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "chloor" }, "dct:isReferencedBy": [ { "@id": "co:LUC_III_002" }, { "@id": "file:///tmp/chemische_stof.jsonld" } ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'chloorgas, uitgedrukt als Cl2'" }, { "@language": "nl", "@value": "VLAR II (D5)" }, { "@language": "nl", "@value": "VLAR III (D3) 'chloorgas'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'chloorgas'" }, { "@language": "nl", "@value": "VLAR III (D3) 'chloor, uitgedrukt als Cl2'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.1" } ], "skos:notation": "Cl2", "dbo:formula": "Cl2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000432" }, "dbo:casNumber": "7782-50-5", "rdfs:seeAlso": { "@id": "compound:24526" }, "skos:prefLabel": { "@language": "nl", "@value": "dichloor" }, "dbo:iupacName": { "@language": "en", "@value": "Molecular chlorine" }, "dbo:inchi": "InChI=1S/Cl2/c1-2" }, { "@id": "csc:JZQKKSLKJUAGIC-UHFFFAOYSA-N", "dbo:casNumber": [ "13523-86-9", "21870-06-4" ], "skos:prefLabel": { "@language": "nl", "@value": "pindolol" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol" }, "rdfs:seeAlso": { "@id": "compound:4828" }, "skos:broader": { "@id": "csc:CHEMONTID_0002497" }, "dbp:inchikey": "InChIKey=JZQKKSLKJUAGIC-UHFFFAOYSA-N", "dbo:smiles": "CC(C)NCC(COC1=CC=CC2=C1C=CN2)O", "dbo:formula": "C14H20N2O2", "dbo:pubchem": { "@value": "4828", "@type": "xsd:int" }, "skos:notation": "pindll", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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" }, { "@id": "csc:KHSLHYAUZSPBIU-UHFFFAOYSA-M", "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", "skos:broader": { "@id": "file:///tmp/css_CHEMONTID_0003976" }, "skos:notation": "DDBAB", "dbo:iupacName": { "@language": "en", "@value": "benzyl-dodecyl-dimethylazanium bromide" }, "dbp:inchikey": "InChIKey=KHSLHYAUZSPBIU-UHFFFAOYSA-M", "dbo:formula": "C21H38BrN", "skos:prefLabel": { "@language": "nl", "@value": "dodecyldimethylbenzylammoniumbromide" }, "rdfs:seeAlso": { "@id": "compound:23705" }, "dbo:casNumber": "7281-04-1", "dbo:smiles": "CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "23705", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:WOWHHFRSBJGXCM-UHFFFAOYSA-M", "dbo:casNumber": [ "139272-33-6", "79728-63-5", "68002-63-1", "112-02-7", "53023-95-3", "146909-27-5" ], "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]", "dbp:inchikey": "InChIKey=WOWHHFRSBJGXCM-UHFFFAOYSA-M", "dbo:pubchem": { "@value": "8154", "@type": "xsd:int" }, "dbo:formula": "C19H42ClN", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "hexadecyltrimethylammoniumchloride" }, "skos:broader": { "@id": "file:///tmp/css_CHEMONTID_0004225" }, "rdfs:seeAlso": { "@id": "compound:8154" }, "skos:notation": "C16ylTC1ylNH", "dbo:iupacName": { "@language": "en", "@value": "hexadecyl-trimethylazanium chloride" } }, { "@id": "csc:ZUSHSDOEVHPTCU-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl", "dbo:formula": "C10H7ClN2O", "dbp:inchikey": "InChIKey=ZUSHSDOEVHPTCU-UHFFFAOYSA-N", "skos:notation": "pyrdfl", "dbo:pubchem": { "@value": "92316", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "pyridafol" }, "rdfs:seeAlso": { "@id": "compound:92316" }, "dbo:casNumber": "40020-01-7", "dbo:iupacName": { "@language": "en", "@value": "6-chloro-3-phenyl-1H-pyridazin-4-one" }, "skos:broader": { "@id": "csc:CHEMONTID_0004147" }, "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)" }, { "@id": "csc:QXJKBPAVAHBARF-UHFFFAOYSA-N", "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:smiles": "CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C", "skos:notation": "procmdn", "dbo:casNumber": [ "68444-90-6", "60120-20-9", "32809-16-8" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "procymidon" }, "dbo:pubchem": { "@value": "36242", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:36242" }, "dbp:inchikey": "InChIKey=QXJKBPAVAHBARF-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C13H11Cl2NO2", "skos:broader": { "@id": "csc:CHEMONTID_0000303" }, "dbo:iupacName": { "@language": "en", "@value": "3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione" } }, { "@id": "csc:XUKUURHRXDUEBC-KAYWLYCHSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0002695" }, "rdfs:seeAlso": { "@id": "compound:60823" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid" }, "dbo:formula": "C33H35FN2O5", "dbo:casNumber": "134523-00-5", "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: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": "InChIKey=XUKUURHRXDUEBC-KAYWLYCHSA-N", "dbo:pubchem": { "@value": "60823", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "atorvastatine" }, "skos:notation": "atvttne" }, { "@id": "csc:SUKJFIGYRHOWBL-UHFFFAOYSA-N", "dbo:casNumber": [ "7681-52-9", "227453-69-2", "8007-59-8", "56172-57-7" ], "dbo:formula": "ClNaO", "dbo:smiles": "[O-]Cl.[Na+]", "skos:prefLabel": { "@language": "nl", "@value": "natriumhypochloriet" }, "rdfs:seeAlso": { "@id": "compound:24340" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "SODIUM HYPOCHLORITE" }, "dbo:inchi": "InChI=1S/ClO.Na/c1-2;/q-1;+1", "skos:broader": { "@id": "csc:CHEMONTID_0000640" }, "skos:notation": "NaOCl", "dbo:pubchem": { "@value": "24340", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=SUKJFIGYRHOWBL-UHFFFAOYSA-N" }, { "@id": "csc:RWGFKTVRMDUZSP-UHFFFAOYSA-N", "dbo:casNumber": [ "68333-89-1", "144637-93-4", "172867-64-0", 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"skos:prefLabel": { "@language": "nl", "@value": "zwavelzuur (H2SO4)" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'" }, { "@language": "nl", "@value": "VLAR III (D3) 'zwavelzuur'" } ], "skos:notation": "H2SO4", "dbo:iupacName": { "@language": "en", "@value": "Sulfuric acid" }, "dct:isReferencedBy": { "@id": "co:LUC_III_008" }, "dbo:smiles": "OS(=O)(=O)O", "rdfs:seeAlso": { "@id": "compound:1118" }, "dbo:formula": "H2O4S" }, { "@id": "csc:WRZOMWDJOLIVQP-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7260", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0003964" }, "rdfs:seeAlso": { "@id": "compound:7260" }, "dbo:smiles": "CC1=C(C=C(C=C1)Cl)N", "dbo:casNumber": "95-79-4", "dbo:inchi": "InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3", "dbp:inchikey": "InChIKey=WRZOMWDJOLIVQP-UHFFFAOYSA-N", "dbo:formula": "C7H8ClN", "skos:notation": "5Cl2C1yAn", "skos:prefLabel": { "@language": "nl", "@value": "5-chloor-2-methylaniline" }, "dbo:iupacName": { "@language": "en", "@value": "5-Chloro-2-methylaniline" } }, { "@id": "csc:KLGMSAOQDHLCOS-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "mecarbam" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate" }, "skos:notation": "mecbm", "dbp:inchikey": "InChIKey=KLGMSAOQDHLCOS-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "17434", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004164" }, "rdfs:seeAlso": { "@id": "compound:17434" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:smiles": "CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC", "dbo:casNumber": "2595-54-2" }, { "@id": "csc:SNMVRZFUUCLYTO-UHFFFAOYSA-N", "dbo:casNumber": "540-54-5", "dbo:iupacName": { "@language": "en", "@value": "1-CHLOROPROPANE" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:notation": "1ClC3a", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "10899", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:10899" }, "skos:prefLabel": { "@language": "nl", "@value": "1-chloorpropaan" }, "dbo:inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3", "dbo:smiles": "CCCCl", "dbo:formula": "C3H7Cl", "dbp:inchikey": "InChIKey=SNMVRZFUUCLYTO-UHFFFAOYSA-N" }, { "@id": "csc:JRMUNVKIHCOMHV-UHFFFAOYSA-M", "rdfs:seeAlso": { "@id": "compound:74236" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "T4C4yNH4Br", "dbo:smiles": "CCCC[N+](CCCC)(CCCC)CCCC.[Br-]", "dbo:iupacName": { "@language": "en", "@value": "tetrabutylazanium bromide" }, "dbo:casNumber": [ "65129-09-1", "1643-19-2", "65129-13-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:pubchem": { "@value": "74236", "@type": "xsd:int" }, "skos:broader": { "@id": "file:///tmp/css_CHEMONTID_0004225" }, "skos:prefLabel": { "@language": "nl", "@value": "tetrabutylammonium bromide" }, "dbo:formula": "C16H36BrN", "dbp:inchikey": "InChIKey=JRMUNVKIHCOMHV-UHFFFAOYSA-M" }, { "@id": "csc:XJIXIEBYTLLFCV-FAISOMDOSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "6211-15-0", "92004-19-8", "57-27-2", "66591-53-5" ], "dbo:iupacName": { "@language": "en", "@value": "(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" }, "dbo:pubchem": { "@value": "6436139", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.O.O.O.O.O.OS(=O)(=O)O", "rdfs:seeAlso": { "@id": "compound:6436139" }, "skos:notation": "morfne", "dbp:inchikey": "InChIKey=XJIXIEBYTLLFCV-FAISOMDOSA-N", "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", "skos:broader": { "@id": "csc:CHEMONTID_0000058" }, "skos:prefLabel": { "@language": "nl", "@value": "morfine" }, "dbo:formula": "C17H31NO12S" }, { "@id": "csc:WSSMOXHYUFMBLS-UHFFFAOYSA-L", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "7758-94-3", "13478-10-9" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2", "skos:prefLabel": { "@language": "nl", "@value": "ijzer(ii)chloride" }, "skos:altLabel": { "@language": "nl", "@value": "ijzer(II)chloride" }, "skos:broader": { "@id": "file:///tmp/css_CHEMONTID_0000588" }, "dbo:iupacName": { "@language": "en", "@value": "iron(2+);dichloride;tetrahydrate" }, "skos:notation": "FeCl2", "rdfs:seeAlso": { "@id": "compound:26063" }, "dbp:inchikey": "InChIKey=WSSMOXHYUFMBLS-UHFFFAOYSA-L", "dbo:formula": "Cl2FeH8O4", "dbo:smiles": "O.O.O.O.[Cl-].[Cl-].[Fe+2]", "dbo:pubchem": { "@value": "26063", "@type": "xsd:int" } }, { "@id": "csc:NIJJYAXOARWZEE-UHFFFAOYSA-N", "skos:notation": "valpinzr", "dbo:smiles": "CCCC(CCC)C(=O)O", "rdfs:seeAlso": { "@id": "compound:3121" }, "dbo:iupacName": { "@language": "en", "@value": "2-Propylpentanoic acid" }, "dbo:casNumber": [ "99-66-1", "117039-65-3" ], "@type": [ 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"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", "skos:notation": "sulfnD", "skos:altLabel": { "@language": "nl", "@value": "sulfinol D" }, "dbo:smiles": "CC(CNCC(C)O)O.C1CCS(=O)(=O)C1.O", "dbo:casNumber": "63665-16-7", "dbo:formula": "C10H25NO5S", "dbp:inchikey": "InChIKey=JCVAWLVWQDNEGS-UHFFFAOYSA-N" }, { "@id": "csc:LMCOQDVJBWVNNI-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3", "skos:prefLabel": { "@language": "nl", "@value": "1-chloor-4-(methylsulfonyl)benzeen" }, "skos:broader": { "@id": "csc:CHEMONTID_0004233" }, "dbo:pubchem": { "@value": "7395", "@type": "xsd:int" }, "skos:notation": "1Cl4C1ysfnBe", "rdfs:seeAlso": { "@id": "compound:7395" }, "dbo:casNumber": "98-57-7", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1-chloro-4-methylsulfonylbenzene" }, 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{ "@id": "compound:108344" }, "dbo:pubchem": { "@value": "108344", "@type": "xsd:int" }, "dbp:inchikey": "InChIKey=SLSSBKMDWYZIRQ-UHFFFAOYSA-N", "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)", "skos:altLabel": { "@language": "nl", "@value": "N,N'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum" }, "skos:prefLabel": { "@language": "nl", "@value": "n,n'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum" }, "dbo:smiles": "CC1(CC(CC(C1)(C)CNC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)N=C=O)C" }, { "@id": "csc:RGCLLPNLLBQHPF-CMDGGOBGSA-N", "dbo:casNumber": [ "13170-92-8", "297-99-4" ], "dbo:smiles": "CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl", "dbp:inchikey": "InChIKey=RGCLLPNLLBQHPF-CMDGGOBGSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "[(E)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate" }, "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+", "skos:notation": "tfosfmdn", "dbo:formula": "C10H19ClNO5P", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "3033834", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "trans-fosfamidon" }, "rdfs:seeAlso": { "@id": "compound:3033834" }, "skos:broader": { "@id": "csc:CHEMONTID_0003459" } }, { "@id": "csc:VHKXXVVRRDYCIK-CWCPJSEDSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:65452" }, "dbo:pubchem": { "@value": "65452", "@type": "xsd:int" }, "skos:notation": "narsne", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": 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"rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" } }, { "@id": "csc:DUFVKSUJRWYZQP-UHFFFAOYSA-N", "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", "dbp:inchikey": "InChIKey=DUFVKSUJRWYZQP-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000226" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "91758", "@type": "xsd:int" }, "dbo:casNumber": "98886-44-3", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CCC(C)SP(=O)(N1CCSC1=O)OCC", "rdfs:seeAlso": { "@id": "compound:91758" }, "skos:notation": "fostazt", "dbo:iupacName": { "@language": "en", "@value": "3-(butan-2-ylsulfanyl-ethoxyphosphoryl)-1,3-thiazolidin-2-one" }, "skos:prefLabel": { "@language": "nl", "@value": "fosthiazaat" } }, { "@id": "csc:AWJUIBRHMBBTKR-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002566" }, "dbo:iupacName": { 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"3085", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002279" } }, { "@id": "csc:UZVHFVZFNXBMQJ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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:pubchem": { "@value": "2481", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000292" }, "dbo:iupacName": { "@language": "en", "@value": "5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione" }, "rdfs:seeAlso": { "@id": "compound:2481" }, "dbp:inchikey": "InChIKey=UZVHFVZFNXBMQJ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "butalbital" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "77-26-9", "skos:notation": "butbtl", "dbo:smiles": "CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C", "dbo:formula": "C11H16N2O3" }, { "@id": "csc:TUAHORSUHVUKBD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": "195-19-7", "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", "dbp:inchikey": "InChIKey=TUAHORSUHVUKBD-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "9136", "@type": "xsd:int" }, "dbo:formula": "C18H12", "skos:notation": "BcFen", "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3", "skos:prefLabel": { "@language": "nl", "@value": "benzo(c)fenantreen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:9136" }, "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "dbo:iupacName": { "@language": "en", "@value": "Benzo[c]phenanthrene" } }, { "@id": "csc:WOZQBERUBLYCEG-UHFFFAOYSA-N", "dbp:inchikey": "InChIKey=WOZQBERUBLYCEG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004714" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": "1918-18-9", "skos:notation": "swep", "dbo:smiles": "COC(=O)NC1=CC(=C(C=C1)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "Methyl N-(3,4-dichlorophenyl)carbamate" }, "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:pubchem": { "@value": "15969", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "swep" }, "rdfs:seeAlso": { "@id": "compound:15969" }, "dbo:formula": "C8H7Cl2NO2" }, { "@id": "csc:YYGNTYWPHWGJRM-AAJYLUCBSA-N", "dbo:smiles": "CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "7683-64-9", "111-02-4", "94016-35-0" ], "skos:notation": "squaln", "dbo:formula": "C30H50", "rdfs:seeAlso": { "@id": "compound:638072" }, "dbo:iupacName": { "@language": "en", "@value": "['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', 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"α-endosulfan" }, { "@language": "nl", "@value": "endosulfan (som alfa- en beta-isomeer)" } ], "skos:notation": "endsfn", "dbp:inchikey": "InChIKey=RDYMFSUJUZBWLH-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide" } }, { "@id": "csc:KJDRSWPQXHESDQ-UHFFFAOYSA-N", "dbo:casNumber": [ "51104-87-1", "110-56-5" ], "dbo:smiles": "C(CCCl)CCl", "dbo:formula": "C4H8Cl2", "dbo:inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "1,4-dichloorbutaan" }, "skos:notation": "14DClC4a", "dbo:iupacName": { "@language": "en", "@value": "['1,4-dichlorobuta-1,3-diyne', '1,4-Dichlorobutane']" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbp:inchikey": "InChIKey=KJDRSWPQXHESDQ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": 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"@value": "34", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:34" }, "skos:notation": "2ClC2ol", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C2H5ClO", "dbo:inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2", "dbo:smiles": "C(CCl)O", "dbo:iupacName": { "@language": "en", "@value": "['2-CHLOROETHANOL', '2-chloroethynol']" } }, { "@id": "csc:BHIWKHZACMWKOJ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "methyl 2-methylpropanoaat" }, "dbo:casNumber": "547-63-7", "dbo:smiles": "CC(C)C(=O)OC", "skos:broader": { "@id": "csc:CHEMONTID_0003416" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "InChIKey=BHIWKHZACMWKOJ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11039" }, "skos:notation": "C1y2C1yppnat", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Methyl 2-methylpropanoate" }, "dbo:pubchem": { "@value": "11039", "@type": "xsd:int" }, "dbo:formula": "C5H10O2", "dbo:inchi": "InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3" }, { "@id": "csc:QSHDDOUJBYECFT-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/Hg", "skos:definition": { "@language": "nl", "@value": "kwik en kwikverbindingen, uitgedrukt als kwik (Hg)" }, "dbo:pubchem": { "@value": "23931", "@type": "xsd:int" }, "dbo:casNumber": [ "8030-64-6", "92355-34-5", "123720-03-6", "92786-62-4", "51887-47-9", "7439-97-6", "149038-91-5" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II (D5) 'kwik en zijn verbindingen' en 'kwik en kwikverbindingen, uitgedrukt als kwik(Hg)' en 'kwik en zijn verbindingen (uitgedrukt in Hg)'" }, { "@language": "nl", "@value": "VLAR III (D3 art. 3.12.3.1.6) 'kwik'" }, { "@language": "nl", "@value": "VLAR III (D3) 'kwik en kwikverbindingen, uitgedrukt als kwik (Hg)'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.8.4 'totaal gasvormig kwik'" }, { "@language": "nl", "@value": "VLAR II (D2) 'kwik'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Hg'" }, { "@language": "nl", "@value": "VLAR III (D3) 'kwik en zijn verbindingen, uitgedrukt als kwik (Hg)'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'Kwik en zijn verbindingen, uitgedrukt in Hg'" } ], "vcs:vmmParameterId": [ { "@value": "694", "@type": "xsd:int" }, { "@value": "166", "@type": "xsd:int" }, { "@value": "168", "@type": "xsd:int" }, { "@value": "167", "@type": "xsd:int" } ], "dbo:iupacName": { "@language": "en", "@value": "Mercury" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:23931" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:smiles": "[Hg]", "skos:prefLabel": { "@language": "nl", "@value": "Kwik (Hg)" }, "skos:altLabel": [ { "@language": "nl", "@value": "kwik" }, { "@language": "nl", "@value": "kwik, opgelost" }, { "@language": "nl", "@value": "kwik (hg)" } ], "skos:exactMatch": { "@id": "wise:CAS_7439-97-6" }, "dbp:inchikey": "InChIKey=QSHDDOUJBYECFT-UHFFFAOYSA-N", "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" } ], "dbo:formula": "Hg", "skos:notation": "Hg" }, { "@id": "csc:WABPQHHGFIMREM-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_7439-92-1" }, "dbo:casNumber": [ "7439-92-1", "724427-66-1", "15158-12-0", "14701-27-0", "54076-28-7" ], "rdfs:seeAlso": { "@id": "compound:5352425" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'lood en zijn verbindingen, uitgedrukt in Pb'" }, { "@language": "nl", "@value": "VLAR II (D2), diverse artikels 'lood'" }, { "@language": "nl", "@value": "VLAR III (D3) 'lood-verbindingen, uitgedrukt als Pb'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Pb'" }, { "@language": "nl", "@value": "VLAR II (D5) 'lood en zijn verbindingen, uitgedrukt in/als Pb' 'lood en loodverbindingen, uitgedrukt als lood (Pb)'" }, { "@language": "nl", "@value": "VLAR III (D3) 'lood en loodverbindingen, uitgedrukt als lood (Pb)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'lood en zijn verbindingen, uitgedrukt in Pb'" }, { "@language": "nl", "@value": "VLAR bijl. 2.5.2. 'lood'" } ], "skos:altLabel": [ { "@language": "nl", "@value": "lood" }, { "@language": "nl", "@value": "lood, opgelost" }, { "@language": "nl", "@value": "lood (pb)" } ], "dbo:pubchem": { "@value": "5352425", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "vcs:vmmParameterId": [ { "@value": "1956", "@type": "xsd:int" }, { "@value": "170", "@type": "xsd:int" }, { "@value": "171", "@type": "xsd:int" }, { "@value": "169", "@type": "xsd:int" } ], "dbo:inchi": "InChI=1S/Pb", "dbo:smiles": "[Pb]", "skos:definition": { "@language": "nl", "@value": "lood en loodverbindingen, uitgedrukt als lood (Pb)" }, "dct:isReferencedBy": [ { "@id": "co:LUC_III_010" }, { "@id": "co:LUC_I_002" } ], "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "dbo:formula": "Pb", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "Lood (Pb)" }, "skos:notation": "Pb", "dbp:inchikey": "InChIKey=WABPQHHGFIMREM-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Lead" } }, { "@id": "csc:PGCGUUGEUBFBPP-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/Al.P/q+3;-3", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000444" }, "dbo:casNumber": "20859-73-8", "rdfs:seeAlso": { "@id": "compound:16126812" }, "dbo:iupacName": { "@language": "en", "@value": "aluminum phosphorus(-3) anion" }, "skos:notation": "AlP", "dbo:formula": "AlP", "dbp:inchikey": "InChIKey=PGCGUUGEUBFBPP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "aluminiumfosfide" }, "dbo:pubchem": { "@value": "16126812", "@type": "xsd:int" }, "dbo:smiles": "[Al+3].[P-3]" }, { "@id": "csc:KYGZCKSPAKDVKC-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "oxolinezuur" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "rdfs:seeAlso": { "@id": "compound:4628" }, "dbp:inchikey": "InChIKey=KYGZCKSPAKDVKC-UHFFFAOYSA-N", "skos:notation": "Oolnzr", "dbo:smiles": "CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O", "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:formula": "C13H11NO5", "dbo:casNumber": "14698-29-4", "dbo:pubchem": { "@value": "4628", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid" } }, { "@id": "csc:XKJMBINCVNINCA-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001935" }, "dbo:formula": "C9H10Cl2N2O2", "dbo:casNumber": [ "330-55-2", "56645-87-5" ], "dbo:pubchem": { "@value": "9502", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_330-55-2" }, "rdfs:seeAlso": { "@id": "compound:9502" }, "dbo:iupacName": { "@language": "en", "@value": "3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea" }, "vcs:vmmParameterId": { "@value": "275", "@type": "xsd:int" }, "dbo:smiles": "CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "InChIKey=XKJMBINCVNINCA-UHFFFAOYSA-N", "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)", "skos:prefLabel": { "@language": "nl", "@value": "linuron" }, "skos:notation": "linrn", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:AMIMRNSIRUDHCM-UHFFFAOYSA-N", "dbo:smiles": "CC(C)C=O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-Methylpropanal" }, "dbp:inchikey": "InChIKey=AMIMRNSIRUDHCM-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002230" }, "skos:notation": "2C1y1C3al", "skos:prefLabel": { "@language": "nl", "@value": "2-methyl-1-propanal" }, "rdfs:seeAlso": { "@id": "compound:6561" }, "dbo:formula": "C4H8O", "dbo:pubchem": { "@value": "6561", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3", "dbo:casNumber": [ "78-84-2", "26140-46-5" ] }, { "@id": "csc:ZQUPQXINXTWCQR-UHFFFAOYSA-N", "dbo:formula": "C12H4Cl6", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,5-tetrachloro-4-(3,4-dichlorophenyl)benzene" }, "dbo:pubchem": { "@value": "63072", "@type": "xsd:int" }, "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:smiles": "C1=CC(=C(C=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=ZQUPQXINXTWCQR-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "PCB158", "dbo:casNumber": "74472-42-7", "skos:prefLabel": { "@language": "nl", "@value": "2,3,3',4,4',6-hexachloorbifenyl" }, "rdfs:seeAlso": { "@id": "compound:63072" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" } }, { "@id": "csc:SPTHHTGLGVZZRH-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0004238" }, "dbo:iupacName": { "@language": "en", "@value": "2-trimethylarsoniumylacetate" }, "dbo:smiles": "C[As+](C)(C)CC(=O)[O-]", "dbo:pubchem": { "@value": "47364", "@type": "xsd:int" }, "dbo:casNumber": "64436-13-1", "skos:prefLabel": { "@language": "nl", "@value": "arsenobetaïne" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=SPTHHTGLGVZZRH-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:47364" }, "dbo:formula": "C5H11AsO2", "dbo:inchi": "InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3" }, { "@id": "csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N", "dbp:inchikey": "InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_7664-41-7" }, "dbo:casNumber": [ "208990-07-2", "8007-57-6", "13774-92-0", "15194-15-7", "7664-41-7", "214478-05-4", "17778-88-0" ], "dbo:smiles": "N", "dbo:inchi": "InChI=1S/H3N/h1H3", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'ammoniak'" }, { "@language": "nl", "@value": "VLAR II (D2/D5) 'ammoniak' en 'ammoniak (NH3)' en 'NH3'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NH3'" } ], "skos:notation": "NH3", "dbo:formula": "H3N", "skos:prefLabel": { "@language": "nl", "@value": "ammoniak (NH3)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "['$l^{1}-azane', 'azane']" }, "rdfs:seeAlso": { "@id": "compound:222" }, "dct:isReferencedBy": { "@id": "co:LUC_III_003" }, "vcs:vmmParameterId": { "@value": "19", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "skos:altLabel": [ { "@language": "nl", "@value": "ammoniak" }, { "@language": "nl", "@value": "ammoniak (nh3)" } ], "dbo:pubchem": { "@value": "222", "@type": "xsd:int" } }, { "@id": "csc:JRUGFHHEKLYFPC-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:154380" }, "skos:broader": { "@id": "csc:CHEMONTID_0000048" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C14H14N2", "dbp:inchikey": "InChIKey=JRUGFHHEKLYFPC-UHFFFAOYSA-N", "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:casNumber": "57964-40-6", "skos:notation": "4CN1234T4HNa", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "4-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile" }, "skos:prefLabel": { "@language": "nl", "@value": "4-cyaan-1,2,3,4-tetrahydro-1-naftaleenacetonitril" }, "dbo:pubchem": { "@value": "154380", "@type": "xsd:int" }, "dbo:smiles": "C1CC(C2=CC=CC=C2C1CCC#N)C#N" }, { "@id": "csc:WHOKDONDRZNCBC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "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", "skos:altLabel": { "@language": "nl", "@value": "2,4-D isopropyl ester" }, "dbo:iupacName": { "@language": "en", "@value": "propan-2-yl 2-(2,4-dichlorophenoxy)acetate" }, "dbo:pubchem": { "@value": "7173", "@type": "xsd:int" }, "dbo:formula": "C11H12Cl2O3", "skos:broader": { "@id": "csc:CHEMONTID_0000417" }, "rdfs:seeAlso": { "@id": "compound:7173" }, "skos:notation": "24DiC3yEsr", "skos:prefLabel": { "@language": "nl", "@value": "2,4-d isopropyl ester" }, "dbp:inchikey": "InChIKey=WHOKDONDRZNCBC-UHFFFAOYSA-N", "dbo:casNumber": "94-11-1", "dbo:smiles": "CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl" }, { "@id": "csc:SBYAVOHNDJTVPA-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:35699" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": "30979-48-7", "dbp:inchikey": 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"C1=CC(=C(C=C1Br)Br)O", "skos:prefLabel": { "@language": "nl", "@value": "2,4-dibroomfenol" }, "dbo:formula": "C6H4Br2O", "dbo:inchi": "InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H", "dbo:iupacName": { "@language": "en", "@value": "2,4-Dibromophenol" }, "dbo:pubchem": { "@value": "12005", "@type": "xsd:int" }, "dbp:inchikey": "InChIKey=FAXWFCTVSHEODL-UHFFFAOYSA-N", "skos:notation": "24DBrFol", "dbo:casNumber": "615-58-7", "rdfs:seeAlso": { "@id": "compound:12005" } }, { "@id": "csc:CYESCLHCWJKRKM-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:prefLabel": { "@language": "nl", "@value": "1-(3,4-dichloorfenyl)ureum" }, "rdfs:seeAlso": { "@id": "compound:16854" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C7H6Cl2N2O", "dbp:inchikey": "InChIKey=CYESCLHCWJKRKM-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C=C1NC(=O)N)Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "134DClFyurum", 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"csc:QDRXWCAVUNHOGA-UHFFFAOYSA-N", "skos:notation": "acqncl", "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", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:93315" }, "dbp:inchikey": "InChIKey=QDRXWCAVUNHOGA-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "93315", "@type": "xsd:int" }, "dbo:casNumber": [ "57960-19-7", "191490-28-5" ], "dbo:iupacName": { "@language": "en", "@value": "(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate" }, "dbo:formula": "C24H32O4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "acequinocyl" }, "dbo:smiles": "CCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C", "skos:broader": { "@id": "csc:CHEMONTID_0000153" } }, { "@id": "csc:IYIKLHRQXLHMJQ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "amiodarone" }, "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", "skos:notation": "amodne", "dbp:inchikey": "InChIKey=IYIKLHRQXLHMJQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "(2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone" }, "dbo:pubchem": { "@value": "2157", "@type": "xsd:int" }, "dbo:casNumber": "1951-25-3", "dbo:smiles": "CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I", "rdfs:seeAlso": { "@id": "compound:2157" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C25H29I2NO3", "skos:broader": { "@id": "csc:CHEMONTID_0004297" } }, { "@id": "csc:XOGPDSATLSAZEK-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8341" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-aminoanthracene-9,10-dione" }, "dbp:inchikey": "InChIKey=XOGPDSATLSAZEK-UHFFFAOYSA-N", "skos:notation": "2Aoatcnn", "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:smiles": "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N", "skos:prefLabel": { "@language": "nl", "@value": "2-aminoanthrachinon" }, "dbo:casNumber": "117-79-3", "dbo:pubchem": { "@value": "8341", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003952" } }, { "@id": "csc:QDDHZFKCHWYXJF-PCLMCNLLSA-N", "skos:notation": "doxccnhct", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:5463942" }, "skos:prefLabel": { "@language": "nl", "@value": "doxycycline hyclaat" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "24390-14-5", "62149-53-5" ], "dbp:inchikey": "InChIKey=QDDHZFKCHWYXJF-PCLMCNLLSA-N", "skos:broader": { "@id": "file:///tmp/chemische_stof.jsonld#N/A" }, "dbo:iupacName": { "@language": "en", "@value": "(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" }, "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", "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:pubchem": { "@value": "5463942", "@type": "xsd:int" }, "dbo:formula": "C46H58Cl2N4O18" }, { "@id": "csc:BJLRAKFWOUAROE-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "98478", "@type": "xsd:int" }, "dbo:casNumber": [ "38621-99-7", "2500-83-6" ], "skos:broader": { "@id": "csc:CHEMONTID_0001549" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=BJLRAKFWOUAROE-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(=O)OC1CC2CC1C3C2CC=C3", "skos:notation": "DDPA", "dbo:formula": "C12H16O2", "rdfs:seeAlso": { "@id": "compound:98478" }, "skos:prefLabel": { "@language": "nl", "@value": "verdyl acetaat" }, "dbo:iupacName": { "@language": "en", "@value": "8-tricyclo[5.2.1.02,6]dec-4-enyl acetate" } }, { "@id": "csc:MBIPADCEHSKJDQ-UHFFFAOYSA-N", "dbp:inchikey": "InChIKey=MBIPADCEHSKJDQ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "calrn", "dbo:iupacName": { "@language": "en", "@value": "1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene" }, "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:smiles": "CC1CCC=C2C1(C3C(C3(C)C)CC2)C", "skos:broader": { "@id": "csc:CHEMONTID_0003565" }, "dbo:pubchem": { "@value": "28481", "@type": "xsd:int" }, "dbo:casNumber": "17334-55-3", "rdfs:seeAlso": { "@id": "compound:28481" }, "skos:prefLabel": { "@language": "nl", "@value": "calareen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C15H24" }, { "@id": "csc:UFBJCMHMOXMLKC-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O", "skos:prefLabel": { "@language": "nl", "@value": "2,4-dinitrofenol" }, "dbo:iupacName": { "@language": "en", "@value": "2,4-Dinitrophenol" }, "skos:broader": { "@id": "csc:CHEMONTID_0004505" }, "dbp:inchikey": "InChIKey=UFBJCMHMOXMLKC-UHFFFAOYSA-N", "skos:notation": "24DNO2Fol", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": "51-28-5", "dbo:pubchem": { "@value": "1493", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:1493" }, "dbo:formula": "C6H4N2O5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H" }, { "@id": "csc:AKEJUJNQAAGONA-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'SO3'" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.3.1 'zwaveltrioxide'" } ], "dbo:smiles": "O=S(=O)=O", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:24682" }, "dbo:formula": "O3S", "dct:isReferencedBy": { "@id": "co:LUC_III_008" }, "dbp:inchikey": "InChIKey=AKEJUJNQAAGONA-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "zwaveltrioxide (SO3)" }, "skos:broader": { "@id": "csc:CHEMONTID_0000554" }, "dbo:inchi": "InChI=1S/O3S/c1-4(2)3", "dbo:pubchem": { "@value": "24682", "@type": "xsd:int" }, "dbo:casNumber": [ "7446-11-9", "12210-38-7" ], "dbo:iupacName": { "@language": "en", "@value": "SULFUR TRIOXIDE" } }, { "@id": "csc:JJDFVIDVSCYKDS-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:99068" }, "dbp:inchikey": "InChIKey=JJDFVIDVSCYKDS-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "78948-79-5", "144975-27-9", "7027-11-4" ], "dbo:pubchem": { "@value": "99068", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "isoforon-nitril" }, "skos:broader": { "@id": "csc:CHEMONTID_0003487" }, "dbo:smiles": "CC1(CC(=O)CC(C1)(C)C#N)C", "skos:notation": "ifrntl", "dbo:formula": "C10H15NO" }, { "@id": "csc:HVZJRWJGKQPSFL-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3", "dbo:formula": "C6H14O", "rdfs:seeAlso": { "@id": "compound:61247" }, "dbo:pubchem": { "@value": "61247", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbo:casNumber": "994-05-8", "skos:prefLabel": { "@language": "nl", "@value": "2-methoxy-2-methylbutaan" }, "dbp:inchikey": "InChIKey=HVZJRWJGKQPSFL-UHFFFAOYSA-N", "skos:notation": "2C1ox2C1yC4a", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCC(C)(C)OC", "dbo:iupacName": { "@language": "en", "@value": "2-Methoxy-2-methylbutane" } }, { "@id": "csc:AQIXEPGDORPWBJ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Pentan-3-ol" }, "dbp:inchikey": "InChIKey=AQIXEPGDORPWBJ-UHFFFAOYSA-N", "dbo:smiles": "CCC(CC)O", "skos:notation": "3C5ol", "dbo:pubchem": { "@value": "11428", "@type": "xsd:int" }, "dbo:formula": "C5H12O", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001661" }, "dbo:casNumber": "584-02-1", "rdfs:seeAlso": { "@id": "compound:11428" }, "dbo:inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3", "skos:prefLabel": { "@language": "nl", "@value": "3-pentanol" } }, { "@id": "csc:GFSTXYOTEVLASN-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:3085828" }, "dbp:inchikey": "InChIKey=GFSTXYOTEVLASN-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "gadoteerzuur" }, "dbo:iupacName": { "@language": "en", "@value": "gadolinium(+3) cation; 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid" }, "dbo:smiles": "C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]", "skos:notation": 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"wise:CAS_22916-47-8" }, "skos:broader": { "@id": "csc:CHEMONTID_0002542" }, "dbp:inchikey": "InChIKey=BYBLEWFAAKGYCD-UHFFFAOYSA-N" }, { "@id": "csc:MIJLZGZLQLAQCM-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "InChIKey=MIJLZGZLQLAQCM-UHFFFAOYSA-N", "skos:notation": "halOxfC2oxC2", "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:smiles": "CCOCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl", "rdfs:seeAlso": { "@id": "compound:91743" }, "dbo:formula": "C19H19ClF3NO5", "dbo:pubchem": { "@value": "91743", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-ethoxyethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" }, "skos:prefLabel": { "@language": "nl", "@value": "haloxyfop-ethoxyethyl" }, "skos:broader": { "@id": "csc:CHEMONTID_0004677" }, "dbo:casNumber": [ "126518-70-5", "87237-48-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:ACTOXUHEUCPTEW-JMRHEKERSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "spiramycine (I+II+III)" }, "dbp:inchikey": "InChIKey=ACTOXUHEUCPTEW-JMRHEKERSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000282" }, "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", "skos:notation": "spirmcne", "dbo:pubchem": { "@value": "6419898", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "['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']" }, "rdfs:seeAlso": { "@id": "compound:6419898" }, "dbo:formula": "C43H74N2O14", "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", "dbo:casNumber": "8025-81-8", "skos:altLabel": { "@language": "nl", "@value": "spiramycine (i+ii+iii)" } }, { "@id": "csc:CZZYITDELCSZES-UHFFFAOYSA-N", "skos:notation": "DFyC1a", "dbo:inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2", "dbo:formula": "C13H12", "rdfs:seeAlso": { "@id": "compound:7580" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "InChIKey=CZZYITDELCSZES-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "dbo:smiles": "C1=CC=C(C=C1)CC2=CC=CC=C2", "dbo:pubchem": { "@value": "7580", "@type": "xsd:int" }, "dbo:casNumber": "101-81-5", "skos:prefLabel": { "@language": "nl", "@value": "difenylmethaan" }, "dbo:iupacName": { "@language": "en", "@value": "phenylmethylbenzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:ABBKOIZWGCVCKE-UHFFFAOYSA-N", "skos:notation": "14iC3yFyurum", "rdfs:seeAlso": { "@id": "compound:185831" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "(4-propan-2-ylphenyl)urea" }, "dbo:formula": "C10H14N2O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "1-(4-isopropylfenyl)ureum" }, "skos:broader": { "@id": "csc:CHEMONTID_0001935" }, "dbp:inchikey": "InChIKey=ABBKOIZWGCVCKE-UHFFFAOYSA-N", "dbo:casNumber": "56046-17-4", "dbo:smiles": "CC(C)C1=CC=C(C=C1)NC(=O)N", "dbo:pubchem": { "@value": "185831", "@type": "xsd:int" }, "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)" }, { "@id": "csc:RJCQBQGAPKAMLL-UHFFFAOYSA-N", "dbo:formula": "CBrF3", "dbo:casNumber": [ "75-63-8", "62395-25-9" ], "skos:notation": "halon1301", "dbo:pubchem": { "@value": "6384", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:6384" }, "dbo:smiles": "C(F)(F)(F)Br", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=RJCQBQGAPKAMLL-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "bromo-trifluoromethane" }, "skos:broader": { "@id": "csc:CHEMONTID_0004157" }, "dbo:inchi": "InChI=1S/CBrF3/c2-1(3,4)5", "skos:prefLabel": { "@language": "nl", "@value": "broomtrifluormethaan" } }, { "@id": "csc:ZJMZZNVGNSWOOM-UHFFFAOYSA-N", "skos:notation": "secbmtn", "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:casNumber": [ "26259-45-0", "38473-42-6", "11096-33-6" ], "dbo:iupacName": { "@language": "en", "@value": "N-butan-2-yl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" }, "skos:prefLabel": { "@language": "nl", "@value": "secbumeton" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CCC(C)NC1=NC(=NC(=N1)NCC)OC", "skos:broader": { "@id": "csc:CHEMONTID_0004731" }, "rdfs:seeAlso": { "@id": "compound:33443" }, "dbo:formula": "C10H19N5O", "dbo:pubchem": { "@value": "33443", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=ZJMZZNVGNSWOOM-UHFFFAOYSA-N" }, { "@id": "csc:FWFUWXVFYKCSQA-UHFFFAOYSA-M", "dbo:casNumber": [ "115137-50-3", "15214-89-8", "86848-82-0", "113996-54-6", "171063-24-4", "5165-97-9", "112666-19-0", "95243-13-3", "152634-06-5", "76701-57-0", "192388-82-2", "129701-88-8" ], "dbp:inchikey": "InChIKey=FWFUWXVFYKCSQA-UHFFFAOYSA-M", "skos:broader": { "@id": "file:///tmp/css_CHEMONTID_0001179" }, "dbo:smiles": "CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[Na+]", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "3034154", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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": { "@language": "en", "@value": "sodium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate" }, "skos:prefLabel": { "@language": "nl", "@value": "2-acrylamido-2-methylpropaansulfonzuur" }, "skos:notation": "2acamd2C1yC3", "rdfs:seeAlso": { "@id": "compound:3034154" } }, { "@id": "csc:YTOPFCCWCSOHFV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=YTOPFCCWCSOHFV-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,6-Dimethyl-4-tridecylmorpholine" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:32518" }, "dbo:casNumber": [ "24602-86-6", "81412-43-3" ], "dbo:formula": "C19H39NO", "dbo:smiles": "CCCCCCCCCCCCCN1CC(OC(C1)C)C", "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", "skos:prefLabel": { "@language": "nl", "@value": "tridemorf" }, "skos:notation": "Tdmf", "skos:broader": { "@id": "csc:CHEMONTID_0000392" }, "dbo:pubchem": { "@value": "32518", "@type": "xsd:int" } }, { "@id": "csc:RHDHXBLZBVAPTL-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "InChIKey=RHDHXBLZBVAPTL-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:17631" }, "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:smiles": "CCCCCCCCC(CCC)C1=CC=CC=C1", "dbo:iupacName": { "@language": "en", "@value": "dodecan-4-ylbenzene" }, "skos:notation": "1C3yC9yBen", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "2719-64-4", "skos:prefLabel": { "@language": "nl", "@value": "(1-propylnonyl)-benzeen" }, "dbo:formula": "C18H30", "dbo:pubchem": { "@value": "17631", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002279" } }, { "@id": "csc:JXTHNDFMNIQAHM-UHFFFAOYSA-N", "dbo:smiles": "C(C(=O)O)(Cl)Cl", "dbp:inchikey": "InChIKey=JXTHNDFMNIQAHM-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "dichloorazijnzuur" }, "dbo:casNumber": [ "42428-47-7", "79-43-6" ], "dbo:pubchem": { "@value": "6597", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2,2-Dichloroacetic acid" }, "dbo:formula": "C2H2Cl2O2", "skos:notation": "DClHAc", "rdfs:seeAlso": { "@id": "compound:6597" }, "dbo:inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" }, { "@id": "csc:FOHHWGVAOVDVLP-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-Chloro-3-nitroaniline" }, "dbo:casNumber": "635-22-3", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:12477" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "dbo:smiles": "C1=CC(=C(C=C1N)[N+](=O)[O-])Cl", "skos:prefLabel": { "@language": "nl", "@value": "4-chloor-3-nitroaniline" }, "dbo:formula": "C6H5ClN2O2", "dbo:inchi": "InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2", "dbo:pubchem": { "@value": "12477", "@type": "xsd:int" }, "dbp:inchikey": "InChIKey=FOHHWGVAOVDVLP-UHFFFAOYSA-N", "skos:notation": "4Cl3NO2An", 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"dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "FERMIUM" }, "skos:prefLabel": { "@language": "nl", "@value": "fermium" }, "dbp:inchikey": "InChIKey=MIORUQGGZCBUGO-UHFFFAOYSA-N", "dbo:formula": "Fm", "dbo:casNumber": "7440-72-4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "[Fm]", "rdfs:seeAlso": { "@id": "compound:23998" }, "skos:notation": "Fm", "dbo:inchi": "InChI=1S/Fm", "dbo:pubchem": { "@value": "23998", "@type": "xsd:int" } }, { "@id": "csc:APFVFJFRJDLVQX-AHCXROLUSA-N", "dbo:pubchem": { "@value": "5462099", "@type": "xsd:int" }, "skos:notation": "In111", "skos:prefLabel": { "@language": "nl", "@value": "indium 111" }, "dbo:iupacName": { "@language": "en", "@value": "indium-111" }, "dbo:smiles": "[In]", "dbo:casNumber": "15750-15-9", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "In", 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"en", "@value": "2-(8-methylnonoxy)ethanol" }, "skos:notation": "geetxldiC10y", "rdfs:seeAlso": { "@id": "compound:94600" }, "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "94600", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "geëthoxyleerde isodecylalcohol" }, "dbo:smiles": "CC(C)CCCCCCCOCCO" }, { "@id": "csc:VVAQOYUUECXZAZ-UHFFFAOYSA-N", "dbo:casNumber": "14488-53-0", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:26713" }, "skos:notation": "DC4ySn", "dbp:inchikey": "InChIKey=VVAQOYUUECXZAZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "26713", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;/q2*-1;+2", "skos:prefLabel": { "@language": "nl", "@value": "dibutyltin (kation)" }, "dbo:iupacName": { "@language": "en", "@value": "butane; tin(+2) cation" }, "dbo:formula": "C8H18Sn", "dbo:smiles": "CCC[CH2-].CCC[CH2-].[Sn+2]", "skos:broader": { "@id": "csc:CHEMONTID_0003865" } }, { "@id": "csc:PXHVJJICTQNCMI-UHFFFAOYSA-N", "dct:isReferencedBy": [ { "@id": "co:LUC_III_010" }, { "@id": "co:LUC_I_002" } ], "skos:definition": { "@language": "nl", "@value": "nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)" }, "dbo:formula": "Ni", "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" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR bijl. 2.5.8.1 'Nikkel'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'nikkel en zijn verbindingen, uitgedrukt in Ni'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Nikkel'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Nikkel en de verbindingen daarvan, uitgedrukt als nikkel (Ni)'" }, { "@language": "nl", "@value": "VLAR II (D5) 'nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Ni'" }, { "@language": "nl", "@value": "VLAR II (D2/D5) 'nikkel'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 nikkel (nikkelmetaal, nikkelsulfide en sulfidische ertsen, nikkeloxide en nikkelcarbonaat, nikkeltetracarbonyl), uitgedrukt in Ni'" } ], "dbo:smiles": "[Ni]", "rdfs:seeAlso": { "@id": "compound:935" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "Nickel" }, "dbo:inchi": "InChI=1S/Ni", "vcs:vmmParameterId": [ { "@value": "1953", "@type": "xsd:int" }, { "@value": "178", "@type": "xsd:int" }, { "@value": "179", "@type": "xsd:int" }, { "@value": "180", "@type": "xsd:int" } ], "skos:altLabel": [ { "@language": "nl", "@value": "nikkel (ni)" }, { "@language": "nl", "@value": "nikkel" }, { "@language": "nl", 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"csc:CHEMONTID_0001350" }, "dbo:smiles": "CCOP(=O)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C", "skos:notation": "iffOon", "dbo:formula": "C15H24NO5P", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=DZUPKTNAUCDVTL-UHFFFAOYSA-N" }, { "@id": "csc:BCQMBFHBDZVHKU-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "N-tert-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" }, "dbo:formula": "C10H19N5O", "skos:prefLabel": { "@language": "nl", "@value": "terbumeton" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0004734" }, "dbp:inchikey": "InChIKey=BCQMBFHBDZVHKU-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:smiles": "CCNC1=NC(=NC(=N1)OC)NC(C)(C)C", "rdfs:seeAlso": { "@id": "compound:36584" }, "dbo:casNumber": "33693-04-8", "dbo:pubchem": { "@value": "36584", "@type": "xsd:int" }, "skos:notation": "terbmtn" }, { "@id": "csc:NEVMZYLKPFGDJB-OWOJBTEDSA-N", "dbp:inchikey": "InChIKey=NEVMZYLKPFGDJB-OWOJBTEDSA-N", "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)OCC(=O)OCC=CCCl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "24DClctEsr", "dbo:pubchem": { "@value": "6433355", "@type": "xsd:int" }, "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:formula": "C12H11Cl3O3", "rdfs:seeAlso": { "@id": "compound:6433355" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "2,4-D chloorcrotyl-ester" }, "skos:altLabel": { "@language": "nl", "@value": "2,4-d chloorcrotyl-ester" }, "dbo:casNumber": "2971-38-2", "dbo:iupacName": { "@language": "en", "@value": "[(E)-4-chlorobut-2-enyl] 2-(2,4-dichlorophenoxy)acetate" }, "skos:broader": { "@id": "csc:CHEMONTID_0000417" } }, { "@id": "csc:QLFZZSKTJWDQOS-NJPOTTGESA-N", "dbo:pubchem": { "@value": "6436133", "@type": "xsd:int" }, "skos:notation": "dormtne", "dbo:iupacName": { "@language": "en", "@value": "(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" }, "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", "skos:prefLabel": { "@language": "nl", "@value": "doramectine" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "InChIKey=QLFZZSKTJWDQOS-NJPOTTGESA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000147" }, "rdfs:seeAlso": { "@id": "compound:6436133" }, "dbo:casNumber": "117704-25-3", "skos:inScheme": { "@id": 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"@language": "en", "@value": "4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one hydrochloride" }, "dbo:formula": "C22H25Cl2N3O", "rdfs:seeAlso": { "@id": "compound:54360" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "79307-93-0", "37932-96-0", "58581-89-8" ], "skos:broader": { "@id": "csc:CHEMONTID_0000209" }, "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:smiles": "CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Cl", "skos:notation": "azltne", "skos:prefLabel": { "@language": "nl", "@value": "azelastine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:OJMBMWRMTMHMSZ-UHFFFAOYSA-N", "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)", 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"@language": "nl", "@value": "n-methylaceetamide" }, "dbp:inchikey": "InChIKey=OHLUUHNLEMFGTQ-UHFFFAOYSA-N" }, { "@id": "csc:YSMRWXYRXBRSND-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004619" }, "skos:prefLabel": { "@language": "nl", "@value": "tri-o-cresylfosfaat" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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", "rdfs:seeAlso": { "@id": "compound:6527" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "['hydroxy-tris(2-methylphenoxy)phosphanium', 'tris(2-methylphenyl) phosphate']" }, "dbo:formula": "C21H21O4P", "dbo:casNumber": [ "1336-40-9", "78-30-8" ], "skos:notation": "TocsPO4", "dbo:smiles": "CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C", "dbo:pubchem": { "@value": "6527", "@type": "xsd:int" }, "dbp:inchikey": "InChIKey=YSMRWXYRXBRSND-UHFFFAOYSA-N" }, { 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"CC(C)CCCC(C)CCCC(C)CCCC(=O)C", "skos:notation": "61014TC1y2C1", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:10408" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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": { "@language": "en", "@value": "6,10,14-Trimethylpentadecan-2-one" }, "skos:broader": { "@id": "csc:CHEMONTID_0001550" }, "skos:prefLabel": { "@language": "nl", "@value": "6,10,14-trimethyl-2-pentadecanon" }, "dbo:formula": "C18H36O", "dbp:inchikey": "InChIKey=WHWDWIHXSPCOKZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10408", "@type": "xsd:int" } }, { "@id": "csc:ITQTTZVARXURQS-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "3-methylpyridine" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C6H7N", "dbo:casNumber": [ "61204-14-6", "108-99-6", "82005-08-1" ], 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{ "@id": "co:LUC_IV_000" } ], "dbo:iupacName": { "@language": "en", "@value": "1,1,2-trichloroethene" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, { "@language": "nl", "@value": "VLAR II Art. 5.4.3.1.4" } ], "skos:altLabel": [ { "@language": "nl", "@value": "trichlooretheen" }, { "@language": "nl", "@value": "trichloorethyleen (tri)" }, { "@language": "nl", "@value": "trichlooretheen (tri)" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" }, { "@id": "csc:UCSJYZPVAKXKNQ-HZYVHMACSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:19649" }, "dbp:inchikey": "InChIKey=UCSJYZPVAKXKNQ-HZYVHMACSA-N", "dbo:iupacName": { "@language": "en", "@value": 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"(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" }, "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", "dbp:inchikey": "InChIKey=WQYWHGOKYSMVFW-ZOKDRQBOSA-N", "rdfs:seeAlso": { "@id": "compound:6440017" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], 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"dbo:pubchem": { "@value": "5359596", "@type": "xsd:int" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'Arseen en de verbindingen daarvan, uitgedrukt als arseen (As)'" }, { "@language": "nl", "@value": "VLAR (D2) 'arseen'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'arseen en zijn verbindingen, uitgedrukt in As'" }, { "@language": "nl", "@value": "VLAR II (D5) 'arseen en arseenverbindingen, uitgedrukt als arseen (As)'" }, { "@language": "nl", "@value": "VLAR III (D3) 'AsH3'" }, { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'As'" }, { "@language": "nl", "@value": "VLAR bijl. II 2.5.8 'arseen'" } ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:altLabel": [ { "@language": "nl", "@value": "arseenwaterstof (ash3)" }, { "@language": "nl", "@value": "arseenwaterstof (AsH3)" }, { "@language": "nl", "@value": "arseen (as)" }, { "@language": "nl", "@value": "arseen" }, { "@language": "nl", "@value": "arseen, opgelost" } ], "skos:broader": { "@id": "csc:CHEMONTID_0000431" }, "dbo:iupacName": { "@language": "en", "@value": "Arsenic" }, "dbo:formula": "As", "dbp:inchikey": "InChIKey=RQNWIZPPADIBDY-UHFFFAOYSA-N", "dbo:smiles": "[As]", "vcs:vmmParameterId": [ { "@value": "136", "@type": "xsd:int" }, { "@value": "1919", "@type": "xsd:int" }, { "@value": "135", "@type": "xsd:int" }, { "@value": "1987", "@type": "xsd:int" }, { "@value": "137", "@type": "xsd:int" } ], "rdfs:seeAlso": { "@id": "compound:5359596" }, "skos:prefLabel": { "@language": "nl", "@value": "Arseen (As)" }, "dbo:inchi": "InChI=1S/As", "dct:isReferencedBy": [ { "@id": "co:LUC_III_010" }, { "@id": "co:LUC_I_002" } ], "skos:notation": "As", "skos:definition": { "@language": "nl", "@value": "arseen en arseenverbindingen, uitgedrukt als arseen (As)" } }, { "@id": "csc:CHHCCYVOJBBCIY-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "23285", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C8H10ClN", "dbo:casNumber": "6848-13-1", "rdfs:seeAlso": { "@id": "compound:23285" }, "dbp:inchikey": "InChIKey=CHHCCYVOJBBCIY-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "3-chloor-N,N-dimethylaniline" }, "dbo:iupacName": { "@language": "en", "@value": "3-Chloro-N,N-dimethylaniline" }, "dbo:smiles": "CN(C)C1=CC(=CC=C1)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0003901" }, "skos:prefLabel": { "@language": "nl", "@value": "3-chloor-n,n-dimethylaniline" }, "dbo:inchi": "InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3", 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], "dbo:smiles": "C1=CC=C(C=C1)CC(=O)O", "dbo:casNumber": [ "103-82-2", "51146-16-8" ], "dbo:iupacName": { "@language": "en", "@value": "2-Phenylacetic acid" }, "dbo:formula": "C8H8O2", "skos:prefLabel": { "@language": "nl", "@value": "benzeenazijnzuur" }, "rdfs:seeAlso": { "@id": "compound:999" }, "dbo:inchi": "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)", "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbp:inchikey": "InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-N" }, { "@id": "csc:XOIQMTLWECTKJL-PDHYURILSA-M", "skos:prefLabel": { "@language": "nl", "@value": "monensin" }, "dbp:inchikey": "InChIKey=XOIQMTLWECTKJL-PDHYURILSA-M", "dbo:casNumber": [ "22136-43-2", "17090-79-8" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C36H61NaO11", "rdfs:seeAlso": { "@id": "compound:5484043" }, "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+]", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "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" }, "dbo:pubchem": { "@value": "5484043", "@type": "xsd:int" }, "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", "skos:notation": "monsn", "skos:broader": { "@id": "file:///tmp/css_CHEMONTID_0004472" } }, { "@id": "csc:CWYZDPHNAGSFQB-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002228" }, "skos:altLabel": { "@language": "nl", "@value": "N-propyl-1-butaanamine" }, "dbo:formula": "C7H17N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "InChIKey=CWYZDPHNAGSFQB-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3", "skos:notation": "NC3y1C4aAe", "dbo:casNumber": "20193-21-9", "rdfs:seeAlso": { "@id": "compound:88399" }, "dbo:iupacName": { "@language": "en", "@value": "N-propylbutan-1-amine" }, "dbo:smiles": "CCCCNCCC", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "n-propyl-1-butaanamine" }, "dbo:pubchem": { "@value": "88399", "@type": "xsd:int" } }, { "@id": "csc:XTRDKALNCIHHNI-UHFFFAOYSA-N", "dbp:inchikey": "InChIKey=XTRDKALNCIHHNI-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "11813", "@type": "xsd:int" }, "dbo:smiles": "CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "2-Methyl-1,3-dinitrobenzene" }, "dbo:formula": "C7H6N2O4", "skos:prefLabel": { "@language": "nl", "@value": "2,6-dinitrotolueen" }, "skos:notation": "26DNO2Tol", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "606-20-2", "rdfs:seeAlso": { "@id": "compound:11813" }, "skos:broader": { "@id": "csc:CHEMONTID_0003969" }, "dbo:inchi": "InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3" }, { "@id": "csc:HMBBJSKXDBUNNT-UHFFFAOYSA-N", "dbp:inchikey": "InChIKey=HMBBJSKXDBUNNT-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br", "rdfs:seeAlso": { "@id": "compound:42948" }, "dbo:casNumber": [ "67774-32-7", "59080-40-9" ], "skos:prefLabel": { "@language": "nl", "@value": "2,2',4,4',5,5'-hexabroombifenyl" }, "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", "skos:notation": "PBB153", "dbo:pubchem": { "@value": "42948", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4-tribromo-5-(2,4,5-tribromophenyl)benzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0003954" } }, { "@id": "csc:VLJXXKKOSFGPHI-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCC(C)CC", "dbp:inchikey": "InChIKey=VLJXXKKOSFGPHI-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3", "dbo:formula": "C7H16", "dbo:casNumber": [ "116502-45-5", "589-34-4" ], "skos:notation": "3C1yC6a", "skos:prefLabel": { "@language": "nl", "@value": "3-methylhexaan" }, "dbo:iupacName": { "@language": "en", "@value": "3-Methylhexane" }, "skos:broader": { "@id": "csc:CHEMONTID_0004620" }, "rdfs:seeAlso": { "@id": "compound:11507" }, "dbo:pubchem": { "@value": "11507", "@type": "xsd:int" } }, { "@id": "csc:OKBVVJOGVLARMR-QSWIMTSFSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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": "InChIKey=OKBVVJOGVLARMR-QSWIMTSFSA-N", "dbo:pubchem": { "@value": "5362065", "@type": "xsd:int" }, "skos:notation": "cefxm", "skos:prefLabel": { "@language": "nl", "@value": "cefixim" }, "skos:broader": { "@id": "csc:CHEMONTID_0000173" }, "dbo:formula": "C16H15N5O7S2", "dbo:casNumber": "79350-37-1", "rdfs:seeAlso": { "@id": "compound:5362065" }, "dbo:iupacName": { "@language": "en", "@value": "(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" } }, { "@id": "csc:PQSUYGKTWSAVDQ-ZVIOFETBSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "(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" }, "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:pubchem": { "@value": "5839", "@type": "xsd:int" }, "dbo:smiles": "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O", "dbo:casNumber": [ "52-39-1", "152-04-5", "10328-70-8" ], "skos:broader": { "@id": "csc:CHEMONTID_0003095" }, "dbp:inchikey": "InChIKey=PQSUYGKTWSAVDQ-ZVIOFETBSA-N", "dbo:formula": "C21H28O5", "rdfs:seeAlso": { "@id": "compound:5839" }, "skos:prefLabel": { "@language": "nl", "@value": "aldosteron" }, "skos:notation": "aldtrn", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:GEHJBWKLJVFKPS-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C2H2BrClO2", "dbo:pubchem": { "@value": "542762", "@type": "xsd:int" }, "dbo:smiles": "C(C(=O)O)(Cl)Br", "dbo:iupacName": { "@language": "en", "@value": "2-bromo-2-chloroacetic acid" }, "rdfs:seeAlso": { "@id": "compound:542762" }, "skos:notation": "BrClHAc", "dbo:casNumber": "5589-96-8", "dbp:inchikey": "InChIKey=GEHJBWKLJVFKPS-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)", "skos:prefLabel": { "@language": "nl", "@value": "broomchloorazijnzuur" }, "skos:broader": { "@id": "csc:CHEMONTID_0003000" } }, { "@id": "csc:SHKUUQIDMUMQQK-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane" }, "dbo:formula": "C10H18O4", "dbo:casNumber": [ "162786-24-5", 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"@type": "xsd:int" }, "skos:notation": "jopninzr", "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)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C11H12I3NO2", "skos:broader": { "@id": "csc:CHEMONTID_0002551" }, "dbp:inchikey": "InChIKey=OIRFJRBSRORBCM-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "jopanoïnezuur" } }, { "@id": "csc:QGBSISYHAICWAH-UHFFFAOYSA-N", "dbo:casNumber": [ "139351-77-2", "461-58-5", "157480-33-6", "125148-58-5", "139351-78-3" ], "skos:prefLabel": { "@language": "nl", "@value": "cyaanguanidine" }, "dbo:formula": "C2H4N4", "skos:notation": "CNgandne", "dbo:pubchem": { "@value": "10005", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000375" }, "dbo:inchi": "InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)", "dbp:inchikey": "InChIKey=QGBSISYHAICWAH-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-Cyanoguanidine" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(#N)N=C(N)N", "rdfs:seeAlso": { "@id": "compound:10005" } }, { "@id": "csc:VACCAVUAMIDAGB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "5328", "@type": "xsd:int" }, "dbo:casNumber": "144-82-1", "skos:prefLabel": { "@language": "nl", "@value": "sulfamethizol" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0001925" }, "dbp:inchikey": "InChIKey=VACCAVUAMIDAGB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide" }, "dbo:smiles": "CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N", "dbo:formula": "C9H10N4O2S2", "rdfs:seeAlso": { "@id": "compound:5328" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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)", "skos:notation": "sulfmtzl" }, { "@id": "csc:BFKJFAAPBSQJPD-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "tetrafluoretheen" }, "dbo:pubchem": { "@value": "8301", "@type": "xsd:int" }, "skos:notation": "T4FC2e", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "9014-83-9", "116-14-3" ], "dbo:inchi": "InChI=1S/C2F4/c3-1(4)2(5)6", "skos:broader": { "@id": "csc:CHEMONTID_0002861" }, "dbo:smiles": "C(=C(F)F)(F)F", "dbo:formula": "C2F4", "rdfs:seeAlso": { "@id": "compound:8301" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=BFKJFAAPBSQJPD-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,1,2,2-tetrafluoroethene" } }, { "@id": "csc:KKCBUQHMOMHUOY-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "disodium oxygen(-2) anion" }, "dbo:casNumber": [ "37382-45-9", "1313-59-3" ], "skos:notation": "Na2O", "dbo:formula": "Na2O", "skos:prefLabel": { "@language": "nl", "@value": "dinatriumoxide" }, "dbp:inchikey": "InChIKey=KKCBUQHMOMHUOY-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000526" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "73971", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/2Na.O/q2*+1;-2", "dbo:smiles": "[O-2].[Na+].[Na+]", "rdfs:seeAlso": { "@id": "compound:73971" } }, { "@id": "csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II (D5) 'thallium en thalliumverbindingen, uitgedrukt als thallium'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'thallium en zijn verbindingen, uitgedrukt in Se'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Tl'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.2 'thallium'" }, { "@language": "nl", "@value": "VLAR III (D3) 'thallium en de verbindingen daarvan, uitgedrukt als thallium (Tl)" } ], "skos:definition": { "@language": "nl", "@value": "thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)" }, "dbo:casNumber": [ "82870-81-3", "113835-49-7", "7440-28-0" ], "vcs:vmmParameterId": [ { "@value": "188", "@type": "xsd:int" }, { "@value": "1976", "@type": "xsd:int" }, { "@value": "190", "@type": "xsd:int" }, { "@value": "189", "@type": "xsd:int" } ], "skos:prefLabel": { "@language": "nl", "@value": "thallium" }, "dbo:inchi": "InChI=1S/Tl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_7440-28-0" }, "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" } ], "dbo:pubchem": { "@value": "5359464", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "Tl", "dbo:iupacName": { "@language": "en", "@value": "THALLIUM" }, "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "dbo:smiles": "[Tl]", "dbp:inchikey": "InChIKey=BKVIYDNLLOSFOA-UHFFFAOYSA-N", "dbo:formula": "Tl", 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{ "@id": "file:///tmp/css_CHEMONTID_0001521" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2", "rdfs:seeAlso": { "@id": "compound:11125" }, "dbo:smiles": "[Li+].[Li+].C(=O)([O-])[O-]", "dbo:pubchem": { "@value": "11125", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "lithium carbonaat" }, "dbo:iupacName": { "@language": "en", "@value": "Dilithium carbonate" }, "skos:notation": "LiCO3", "dbp:inchikey": "InChIKey=XGZVUEUWXADBQD-UHFFFAOYSA-L" }, { "@id": "csc:VDBHOHJWUDKDRW-UHFFFAOYSA-N", "dbo:smiles": "CC1C(C2=C(C1(C)C)C=C(C(=C2)C)C(=O)C)(C)C", "rdfs:seeAlso": { "@id": "compound:47167" }, "dbo:casNumber": [ "15323-35-0", "55599-08-1", "64058-43-1" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C17H24O", "skos:notation": "AHMI", "skos:broader": { "@id": "csc:CHEMONTID_0000027" }, "dbp:inchikey": 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"dbo:ChemicalCompound" ], "dbo:smiles": "C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:27960" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4',5-trichloorbifenyl" }, "dbo:iupacName": { "@language": "en", "@value": "1,4-dichloro-2-(4-chlorophenyl)benzene" }, "dbo:inchi": "InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H", "dbp:inchikey": "InChIKey=VAHKBZSAUKPEOV-UHFFFAOYSA-N", "skos:notation": "PCB31", "dbo:formula": "C12H7Cl3" }, { "@id": "csc:OYTJKRAYGYRUJK-FMCCZJBLSA-M", "dbo:pubchem": { "@value": "441351", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "119302-91-9", "dbo:formula": "C32H53BrN2O4", "skos:prefLabel": { "@language": "nl", "@value": "rocuronium bromide" }, "dbp:inchikey": "InChIKey=OYTJKRAYGYRUJK-FMCCZJBLSA-M", "dbo:iupacName": { "@language": "en", "@value": 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"168665", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:168665" }, "skos:notation": "NPEO6", "dbp:inchikey": "InChIKey=TWIMUEGVLWNOMO-UHFFFAOYSA-N", "dbo:casNumber": "27177-01-1", "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": { "@language": "en", "@value": "2-[2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol" }, "skos:broader": { "@id": "csc:CHEMONTID_0003338" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "nonylfenolhexaethoxylaat" } }, { "@id": "csc:DCTOHCCUXLBQMS-UHFFFAOYSA-N", "dbo:casNumber": [ "68526-57-8", "821-95-4", "10-01-5" ], "skos:prefLabel": { "@language": "nl", "@value": "1-undeceen" }, "dbo:inchi": "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3", "skos:broader": { "@id": "csc:CHEMONTID_0004476" }, "@type": [ "dbo:ChemicalSubstance", 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"SODIUM HYDROXIDE" }, "dbo:smiles": "[OH-].[Na+]", "dbp:inchikey": "InChIKey=HEMHJVSKTPXQMS-UHFFFAOYSA-M", "dbo:casNumber": [ "1310-73-2", "8012-01-9" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "14798", "@type": "xsd:int" } }, { "@id": "csc:CRVGTESFCCXCTH-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C5H13NO2", "dbo:casNumber": [ "511262-76-3", "105-59-9" ], "skos:notation": "22C1yimnDC2o", "dbo:inchi": "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "2,2'-methyliminodiethanol" }, "rdfs:seeAlso": { "@id": "compound:7767" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2-hydroxyethyl-methylamino)ethanol" }, "skos:broader": { "@id": "csc:CHEMONTID_0001897" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "7767", "@type": "xsd:int" }, "dbo:smiles": "CN(CCO)CCO", "dbp:inchikey": 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"C6H5ClN2O2", "dbo:pubchem": { "@value": "8492", "@type": "xsd:int" }, "skos:notation": "2Cl4NO2An", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2" }, { "@id": "csc:OZAIFHULBGXAKX-UHFFFAOYSA-N", "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:pubchem": { "@value": "6547", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile" }, "dbo:formula": "C8H12N4", "dbp:inchikey": "InChIKey=OZAIFHULBGXAKX-UHFFFAOYSA-N", "skos:notation": "22DC1y22aDpp", "rdfs:seeAlso": { "@id": "compound:6547" }, "skos:broader": { "@id": "csc:CHEMONTID_0000410" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "2,2'-dimethyl-2,2'-azodipropiononitril" }, "dbo:inchi": "InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)(C#N)N=NC(C)(C)C#N" }, { "@id": "csc:CKPCAYZTYMHQEX-JXAWBTAJSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "6023583", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbp:inchikey": "InChIKey=CKPCAYZTYMHQEX-JXAWBTAJSA-N", "skos:prefLabel": { "@language": "nl", "@value": "pyrifenox" }, "skos:notation": "pyrfnx", "rdfs:seeAlso": { "@id": "compound:6023583" }, "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:formula": "C14H12Cl2N2O", "dbo:smiles": "CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl", "dbo:casNumber": "88283-41-4" }, { "@id": "csc:UJIGKESMIPTWJH-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,3-Dichloro-1,1,2,2,3-pentafluoropropane" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbo:inchi": "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H", "dbo:formula": "C3HCl2F5", "rdfs:seeAlso": { "@id": "compound:62353" }, "dbo:casNumber": "507-55-1", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "1,3-dichloor-1,1,2,2,3-pentafluorpropaan" }, "dbo:smiles": "C(C(C(F)(F)Cl)(F)F)(F)Cl", "dbo:pubchem": { "@value": "62353", "@type": "xsd:int" }, "skos:notation": "HCFK225cb", "dbp:inchikey": "InChIKey=UJIGKESMIPTWJH-UHFFFAOYSA-N" }, { "@id": "csc:GHVNFZFCNZKVNT-UHFFFAOYSA-N", "dbo:casNumber": [ "334-48-5", "52627-73-3" ], "dbp:inchikey": "InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)", "skos:notation": "C10azr", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "Decanoic acid" }, "dbo:formula": "C10H20O2", "skos:broader": { "@id": "csc:CHEMONTID_0003086" }, "rdfs:seeAlso": { "@id": "compound:2969" }, "dbo:smiles": "CCCCCCCCCC(=O)O", "dbo:pubchem": { "@value": "2969", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "decaanzuur" } }, { "@id": "csc:PSGPXWYGJGGEEG-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "flurenol-butyl" }, "dbp:inchikey": "InChIKey=PSGPXWYGJGGEEG-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "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", "skos:broader": { "@id": "csc:CHEMONTID_0000020" }, "dbo:pubchem": { "@value": "40816", "@type": "xsd:int" }, "dbo:smiles": "CCCCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Butyl 9-hydroxyfluorene-9-carboxylate" }, "rdfs:seeAlso": { "@id": "compound:40816" }, "dbo:casNumber": "2314-09-2", "dbo:formula": "C18H18O3", "skos:notation": "flurnC4y" }, { "@id": "csc:BPMVRAQIQQEBLN-UHFFFAOYSA-N", "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:pubchem": { "@value": "2553", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "['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']" }, "dbo:formula": "C11H10N4O4", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "InChIKey=BPMVRAQIQQEBLN-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "carbadox" }, "skos:notation": "carbdx", "rdfs:seeAlso": { "@id": "compound:2553" }, "dbo:smiles": "COC(=O)N=NC=C1C=[N+](C2=CC=CC=C2N1O)[O-]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "6804-07-5", "39310-25-3" ], "skos:broader": { "@id": "csc:CHEMONTID_0000486" } }, { "@id": "csc:YTWXDQVNPCIEOX-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2,3,3',4,4',5'-hexachloorbifenyl" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dct:isReferencedBy": { "@id": "co:LUC_VI_002" }, "dbo:formula": "C12H4Cl6", "vcs:vmmParameterId": { "@value": "1373", "@type": "xsd:int" }, "dbo:casNumber": "69782-90-7", "skos:altLabel": [ { "@language": "nl", "@value": "PCB 157" }, { "@language": "nl", "@value": "pcb 157" }, { "@language": "nl", "@value": "2,3,3',4,4',5'-hexachloorbifenyl (pcb157)" } ], "dbo:smiles": "C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl)Cl", "rdfs:comment": { "@language": "nl", "@value": "VLAR III (D3) 'dioxineachtige PCB's'" }, "skos:notation": "PCB157", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=YTWXDQVNPCIEOX-UHFFFAOYSA-N", "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", "rdfs:seeAlso": { "@id": "compound:50891" }, "dbo:pubchem": { "@value": "50891", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_69782-90-7" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-trichloro-5-(2,3,4-trichlorophenyl)benzene" } }, { "@id": "csc:YMHOBZXQZVXHBM-UHFFFAOYSA-N", "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", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "2-(4-broom-2,5-dimethoxyfenyl) ethylamine" }, "dbo:casNumber": "66142-81-2", "skos:notation": "24Br25DC1oxF", "dbo:iupacName": { "@language": "en", "@value": "2-(4-bromo-2,5-dimethoxyphenyl)ethanamine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:98527" }, "dbp:inchikey": "InChIKey=YMHOBZXQZVXHBM-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004111" }, "dbo:formula": "C10H14BrNO2", "dbo:pubchem": { "@value": "98527", "@type": "xsd:int" }, "dbo:smiles": "COC1=CC(=C(C=C1CCN)OC)Br" }, { "@id": "csc:ZXCYIJGIGSDJQQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2", "dbo:casNumber": [ "616-23-9", "82890-22-0" ], "dbp:inchikey": "InChIKey=ZXCYIJGIGSDJQQ-UHFFFAOYSA-N", "dbo:formula": "C3H6Cl2O", "dbo:smiles": "C(C(CCl)Cl)O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2,3-Dichloropropan-1-ol" }, "rdfs:seeAlso": { "@id": "compound:12018" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3-dichloorpropanol" 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"csc:CHEMONTID_0004748" }, "skos:notation": "cytoat", "dbp:inchikey": "InChIKey=BSBSDQUZDZXGFN-UHFFFAOYSA-N", "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:casNumber": "115-93-5", "dbo:pubchem": { "@value": "8293", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "cythioaat" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "4-dimethoxyphosphinothioyloxybenzenesulfonamide" }, "dbo:smiles": "COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:8293" }, "dbo:formula": "C8H12NO5PS2" }, { "@id": "csc:ADFXKUOMJKEIND-UHFFFAOYSA-N", "skos:notation": "13DccC6yurum", "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)", "skos:prefLabel": { "@language": "nl", "@value": "1,3-dicyclohexylureum" }, "@type": [ 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"nl", "@value": "VLAR III (D3) 'antimoon'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'antimoon en zijn verbindingen, uitgedrukt in Sb'" }, { "@language": "nl", "@value": "VLAR II (D5) 'antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)' en 'antimoon en antimoonverbindingen, uitgedrukt als Sb'" }, { "@language": "nl", "@value": "VLAR III (D3) 'antimoon en antimoonverbindingen, uitgedrukt in Antimoon (Sb)'" } ], "dbp:inchikey": "InChIKey=WUOBERCRSABHOT-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:23967" }, "skos:exactMatch": { "@id": "wise:CAS_7440-36-0" } }, { "@id": "csc:UDPGUMQDCGORJQ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001302" }, "rdfs:seeAlso": { "@id": "compound:27982" }, "dbo:casNumber": [ "73020-07-2", "16672-87-0", "82375-49-3" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(CCl)P(=O)(O)O", "dbo:iupacName": { "@language": "en", "@value": "2-Chloroethylphosphonic acid" }, "skos:prefLabel": { "@language": "nl", "@value": "ethefon" }, "dbo:formula": "C2H6ClO3P", "skos:notation": "etfn", "dbp:inchikey": "InChIKey=UDPGUMQDCGORJQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "27982", "@type": "xsd:int" } }, { "@id": "csc:ZCUFMDLYAMJYST-UHFFFAOYSA-N", "dbp:inchikey": "InChIKey=ZCUFMDLYAMJYST-UHFFFAOYSA-N", "dbo:smiles": "O=[Th]=O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "8006-33-5", "1314-20-1", "34321-99-8" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "O2Th", "dbo:inchi": "InChI=1S/2O.Th", "rdfs:seeAlso": { "@id": "compound:14808" }, "dbo:iupacName": { "@language": "en", "@value": "dioxothorium" }, "skos:prefLabel": { "@language": "nl", "@value": "thoriumdioxide" }, "dbo:pubchem": { "@value": "14808", "@type": "xsd:int" }, "skos:notation": "ThDO", "skos:broader": { 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{ "@language": "nl", "@value": "octylzwavel" }, { "@language": "nl", "@value": "waterstofsulfide (H2S)" } ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'zwavelwaterstof'" }, { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2 'zwavelwaterstof'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'H2S' en 'H2S-gehalte'" }, { "@language": "nl", "@value": "VLAR II Art. 5.28.3.5.1 'H2S'" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.14.1" } ], "dbo:smiles": "S", "dbo:formula": "H2S", "vcs:vmmParameterId": { "@value": "1156", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_7783-06-4" }, "dbo:inchi": "InChI=1S/H2S/h1H2", "skos:prefLabel": { "@language": "nl", "@value": "waterstofsulfide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=RWSOTUBLDIXVET-UHFFFAOYSA-N" }, { "@id": "csc:JIGUQPWFLRLWPJ-UHFFFAOYSA-N", "dbo:casNumber": [ "153313-65-6", "9003-32-1", "140-88-5", "169238-64-6", "37199-30-7", 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"N-Methylmethanamine" }, "skos:exactMatch": { "@id": "wise:CAS_124-40-3" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:notation": "DC1yAe", "skos:broader": { "@id": "csc:CHEMONTID_0002228" }, "skos:altLabel": { "@language": "nl", "@value": "dimethylamine " }, "dbo:formula": "C2H7N", "vcs:vmmParameterId": { "@value": "497", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3", "dbp:inchikey": "InChIKey=ROSDSFDQCJNGOL-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "674", "@type": "xsd:int" }, "dbo:smiles": "CNC", "dbo:casNumber": "124-40-3" }, { "@id": "csc:WDMKCPIVJOGHBF-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,6,7,8-HEPTACHLORODIBENZOFURAN" }, "dbo:smiles": "C1=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)OC2=C(C(=C1Cl)Cl)Cl", "dbo:casNumber": [ "38998-75-3", "67562-39-4", "67652-39-5" ], 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"1244", "@type": "xsd:int" }, "dbp:inchikey": "InChIKey=WDMKCPIVJOGHBF-UHFFFAOYSA-N", "dbo:formula": "C12HCl7O", "skos:broader": { "@id": "csc:CHEMONTID_0003029" } }, { "@id": "csc:QSKPIOLLBIHNAC-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-CHLOROACETALDEHYDE" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:altLabel": { "@language": "nl", "@value": "chlooraceetaldehyde " }, "dbo:smiles": "C(C=O)Cl", "dbo:casNumber": "107-20-0", "skos:notation": "ClacAh", "dbo:formula": "C2H3ClO", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbp:inchikey": "InChIKey=QSKPIOLLBIHNAC-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:33" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:prefLabel": { "@language": "nl", "@value": "chlooraceetaldehyde" }, "dbo:inchi": "InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2", "dbo:pubchem": { "@value": "33", "@type": "xsd:int" } }, { "@id": "csc:UGFAIRIUMAVXCW-UHFFFAOYSA-N", "skos:notation": "CMO", "dbo:smiles": "[C-]#[O+]", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dct:isReferencedBy": { "@id": "co:LUC_II_001" }, "skos:altLabel": [ { "@language": "nl", "@value": "koolstofmonoxide (CO)" }, { "@language": "nl", "@value": "koolmonoxide" } ], "dbo:casNumber": [ "18421-60-8", "192819-80-0", "167416-30-0", "162342-48-5", "630-08-0", "153929-54-5", "82063-46-5", "155399-52-3" ], "dbo:iupacName": { "@language": "en", "@value": "carbon monoxide" }, "dbo:inchi": "InChI=1S/CO/c1-2", "skos:prefLabel": { "@language": "nl", "@value": "koolstofmonoxide (co)" }, "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'CO'" }, { "@language": "nl", "@value": "VLAR II (D2) 'koolmonoxide'" }, { "@language": "nl", "@value": "VLAR bijl. 2.5.3. diverse plaatsen 'koolmonoxide'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'koolstofmonoxide'" } ], "dbo:pubchem": { "@value": "281", "@type": "xsd:int" }, "dbo:formula": "CO", "dbp:inchikey": "InChIKey=UGFAIRIUMAVXCW-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:281" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:VLKZOEOYAKHREP-UHFFFAOYSA-N", "dbo:smiles": "CCCCCC", "rdfs:seeAlso": { "@id": "compound:8058" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "Hexane" }, "dbo:casNumber": [ "68476-44-8", "92112-69-1", "110-54-3", "8031-34-3" ], "dbo:inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3", "dct:isReferencedBy": [ { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_IV_006" } ], "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "dbo:pubchem": { "@value": "8058", "@type": "xsd:int" }, "dbo:formula": "C6H14", "skos:notation": "C6a", "skos:altLabel": { "@language": "nl", "@value": "n-hexaan" }, "skos:prefLabel": { "@language": "nl", "@value": "hexaan" }, "dbp:inchikey": "InChIKey=VLKZOEOYAKHREP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:WYURNTSHIVDZCO-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "tetrahydrofuraan" }, "dct:isReferencedBy": [ { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_008" } ], "dbo:pubchem": { "@value": "8028", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": [ "PTMEG", "T4Hfrn" ], "dbo:inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2", "dbp:inchikey": "InChIKey=WYURNTSHIVDZCO-UHFFFAOYSA-N", "dbo:casNumber": [ "77392-70-2", "24979-97-3", "109-99-9" ], "rdfs:seeAlso": { "@id": "compound:8028" }, "skos:prefLabel": { "@language": "nl", "@value": "polytetramethyletherglycol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Oxolane" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:smiles": "C1CCOC1", "skos:broader": { "@id": "csc:CHEMONTID_0002648" }, "dbo:formula": "C4H8O" }, { "@id": "csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N", "vcs:vmmParameterId": [ { "@value": "192", "@type": "xsd:int" }, { "@value": "191", "@type": "xsd:int" }, { "@value": "193", "@type": "xsd:int" }, { "@value": "1969", "@type": "xsd:int" } ], "skos:exactMatch": { "@id": "wise:CAS_7440-31-5" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'" }, { "@language": "nl", "@value": "VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Sn'" } ], "rdfs:seeAlso": { "@id": "compound:5352426" }, "skos:notation": "Sn", "dbo:iupacName": { "@language": "en", "@value": "TIN" }, "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "skos:definition": { "@language": "nl", "@value": "tin en tinverbindingen, uitgedrukt als tin (Sn)" }, "dbp:inchikey": "InChIKey=ATJFFYVFTNAWJD-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "5352426", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "tin" }, "skos:altLabel": [ { "@language": "nl", "@value": "tin (sn)" }, { "@language": "nl", "@value": "tin, opgelost" }, { "@language": "nl", "@value": "Tin (Sn)" } ], "dbo:inchi": "InChI=1S/Sn", "dct:isReferencedBy": [ { "@id": "co:LUC_III_010" }, { "@id": "co:LUC_I_002" } ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "[Sn]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Sn", "dbo:casNumber": "7440-31-5" }, { "@id": "csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N", "dct:isReferencedBy": [ { "@id": "co:LUC_III_010" }, { "@id": "co:LUC_I_002" } ], "vcs:vmmParameterId": [ { "@value": "161", "@type": "xsd:int" }, { "@value": "162", "@type": "xsd:int" }, { "@value": "1928", "@type": "xsd:int" }, { "@value": "160", "@type": "xsd:int" } ], "dbo:casNumber": [ "16610-75-6", "7440-48-4" ], "rdfs:seeAlso": { "@id": "compound:104730" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "skos:exactMatch": { "@id": "wise:CAS_7440-48-4" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II D5 'kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Co'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'kobalt en zijn verbindingen, uitgedrukt in Co'" } ], "skos:definition": { "@language": "nl", "@value": "kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)" }, "skos:altLabel": [ { "@language": "nl", "@value": "kobalt (co)" }, { "@language": "nl", "@value": "kobalt" } ], "skos:notation": "Co", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Co", "dbo:pubchem": { "@value": "104730", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Cobalt" }, "skos:prefLabel": { "@language": "nl", "@value": "Kobalt (Co)" }, "dbp:inchikey": "InChIKey=GUTLYIVDDKVIGB-UHFFFAOYSA-N", "dbo:smiles": "[Co]", "dbo:formula": "Co" }, { "@id": "csc:TVMXDCGIABBOFY-UHFFFAOYSA-N", "dbo:smiles": "CCCCCCCC", "skos:notation": "C8a", "dbo:casNumber": [ "111-65-9", "50985-84-7", "31372-91-5" ], "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'" }, "rdfs:seeAlso": { "@id": "compound:356" }, "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "skos:altLabel": { "@language": "nl", "@value": "n-octaan" }, "dbo:pubchem": { "@value": "356", "@type": "xsd:int" }, "dbo:formula": "C8H18", "dct:isReferencedBy": [ { "@id": "co:WAC_IV_A_016" }, { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_IV_006" }, { "@id": "co:LUC_IV_000" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", "skos:prefLabel": { "@language": "nl", "@value": "octaan" }, "dbo:iupacName": { "@language": "en", "@value": "octane" }, "dbp:inchikey": "InChIKey=TVMXDCGIABBOFY-UHFFFAOYSA-N" }, { "@id": "csc:RFFLAFLAYFXFSW-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C(C(=C1)Cl)Cl", "dbo:casNumber": [ "95-50-1", "25321-22-6", "24634-92-2" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:iupacName": { "@language": "en", "@value": "1,2-Dichlorobenzene" }, "vcs:vmmParameterId": { "@value": "318", "@type": "xsd:int" }, "dct:isReferencedBy": [ { "@id": "file:///tmp/chemische_stof.jsonld" }, { "@id": "co:LUC_IV_011" } ], "dbo:inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2-dichloorbenzeen" }, "skos:altLabel": { "@language": "nl", "@value": "1,2-dichloorbenzeen " }, "skos:notation": "12DClBen", "skos:exactMatch": { "@id": "wise:CAS_95-50-1" }, "dbp:inchikey": "InChIKey=RFFLAFLAYFXFSW-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7239", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:7239" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:formula": "C6H4Cl2" }, { "@id": "csc:ZNQVEEAIQZEUHB-UHFFFAOYSA-N", "dbo:formula": "C4H10O2", "skos:prefLabel": { "@language": "nl", "@value": "2-ethoxyethanol" }, "dct:isReferencedBy": [ { "@id": "co:LUC_IV_003" }, { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_012" } ], "skos:notation": "2C2oxC2ol", "rdfs:seeAlso": { "@id": "compound:8076" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "2-Ethoxyethanol" }, "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbo:casNumber": [ "96231-36-6", "110-80-5" ], "dbo:inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3", "dbo:smiles": "CCOCCO", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbp:inchikey": "InChIKey=ZNQVEEAIQZEUHB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "8076", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:GSWAOPJLTADLTN-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als stikstofdioxide'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.3. 'stikstofoxiden'" }, { "@language": "nl", "@value": " 'NOX als som van stikstofmonoxide (NO) en stikstofdioxide (NO2)'" }, { "@language": "nl", "@value": "VLAR II (D5) 'stikstofoxiden, uitgedrukt in NO2' 'stikstofoxiden (NOx), uitgedrukt als NO2' 'NOx, uitgedrukt als NO2' 'NOx''" }, { "@language": "nl", "@value": "VLAR II (D4) 'stikstofoxiden (uitgedrukt in NO2)'" }, { "@language": "nl", "@value": "VLAR III (D3) 'stikstofmonoxide (NO) en stikstofdioxide (NO2), uitgedrukt in NO2'" }, { "@language": "nl", "@value": "VLAR II (D2) 'stikstofoxiden (NOx)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NOx'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NOx, uitgedrukt als NO2'" } ], "dbp:inchikey": "InChIKey=GSWAOPJLTADLTN-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "160954", "@type": "xsd:int" }, "dbo:smiles": "[NH3+][O-]", "dbo:casNumber": [ "11104-93-1", "11129-69-4" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000554" }, "dct:isReferencedBy": { "@id": "co:LUC_II_001" }, "dbo:iupacName": { "@language": "en", "@value": "oxidoazanium" }, "dbo:inchi": "InChI=1S/H3NO/c1-2/h1H3", "skos:definition": { "@language": "nl", "@value": "stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als NO2(def VLAR II, D1: stikstofoxiden: de som van stikstofmonoxide en stikstofdioxide, uitgedrukt als stikstofdioxide (NO2))" }, "rdfs:seeAlso": { "@id": "compound:160954" }, "skos:altLabel": { "@language": "nl", "@value": "stikstofoxiden (NOx), uitgedrukt als NO2" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "H3NO", "skos:prefLabel": { "@language": "nl", "@value": "stikstofoxiden (nox), uitgedrukt als no2" } }, { "@id": "csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'" }, { "@language": "nl", "@value": "VLAR II (D2) 'cadmium'" }, { "@language": "nl", "@value": "VLAR Bijl. 2.5.2 en bijl. 2.5.8.1. 'cadmium'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'cadmium en zijn verbindingen, uitgedrukt in Cd'" }, { "@language": "nl", "@value": "VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Cd'" }, { "@language": "nl", "@value": "VLAR III (D3) 'cadmium en de verbindingen daarvan, uitgedrukt als cadmium (Cd)" } ], "skos:definition": { "@language": "nl", "@value": "cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)" }, "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" } ], "dbo:iupacName": { "@language": "en", "@value": "cadmium(+2) cation" }, "dbo:casNumber": [ "22537-48-0", "7440-43-9" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "cadmium (cd)" }, "skos:altLabel": [ { "@language": "nl", "@value": "cadmium (m)" }, { "@language": "nl", "@value": "cadmium, opgelost" }, { "@language": "nl", "@value": "cadmium" }, { "@language": "nl", "@value": "Cadmium (Cd)" } ], "vcs:vmmParameterId": [ { "@value": "148", "@type": "xsd:int" }, { "@value": "149", "@type": "xsd:int" }, { "@value": "147", "@type": "xsd:int" }, { "@value": "1926", "@type": "xsd:int" } ], "dbo:smiles": "[Cd+2]", "rdfs:seeAlso": { "@id": "compound:31193" }, "dbo:inchi": "InChI=1S/Cd/q+2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=WLZRMCYVCSSEQC-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "31193", "@type": "xsd:int" }, "dbo:formula": "Cd+2", "skos:exactMatch": { "@id": "wise:CAS_7440-43-9" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "skos:notation": "Cd" }, { "@id": "csc:CYRMSUTZVYGINF-UHFFFAOYSA-N", "dbo:casNumber": [ "75-69-4", "62185-70-0", "91315-61-6", "83589-40-6", "79620-41-0" ], "dbp:inchikey": "InChIKey=CYRMSUTZVYGINF-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "trichloro-fluoromethane" }, "skos:prefLabel": { "@language": "nl", "@value": "trichloorfluormethaan" }, "dbo:formula": "CCl3F", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:altLabel": { "@language": "nl", "@value": "trichloorfluormethaan " }, "rdfs:seeAlso": { "@id": "compound:6389" }, "skos:notation": "CFK11", "skos:exactMatch": { "@id": "wise:CAS_75-69-4" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:broader": { "@id": "csc:CHEMONTID_0004521" }, "dbo:pubchem": { "@value": "6389", "@type": "xsd:int" }, "vcs:vmmParameterId": { "@value": "387", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/CCl3F/c2-1(3,4)5", "dbo:smiles": "C(F)(Cl)(Cl)Cl" }, { "@id": "csc:BUGBHKTXTAQXES-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Se'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'seleen en zijn verbindingen, uitgedrukt in Se'" }, { "@language": "nl", "@value": "VLAR III (D3) 'seleenverbindingen, uitgedrukt als Se'" } ], "vcs:vmmParameterId": [ { "@value": "1966", "@type": "xsd:int" }, { "@value": "181", "@type": "xsd:int" }, { "@value": "183", "@type": "xsd:int" }, { "@value": "182", "@type": "xsd:int" } ], "dbo:formula": "Se", "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" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" }, { "@id": "co:WAC_III_B_010" }, { "@id": "co:CMA_2_I_B" }, { "@id": "co:CMA_2_I_B.6" }, { "@id": "co:CMA_2_I_B.1" }, { "@id": "co:WAC_III_B_012" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:definition": { "@language": "nl", "@value": "seleen en seleenverbindingen, uitgedrukt als lood (Pb)" }, "skos:altLabel": [ { "@language": "nl", "@value": "Seleen (Se)" }, { "@language": "nl", "@value": "seleen (se)" }, { "@language": "nl", "@value": "seleen, opgelost" } ], "dbo:pubchem": { "@value": "6326970", "@type": "xsd:int" }, "dbp:inchikey": "InChIKey=BUGBHKTXTAQXES-UHFFFAOYSA-N", "dbo:smiles": "[Se]", "skos:notation": "Se", "skos:prefLabel": { "@language": "nl", "@value": "seleen" }, "dbo:iupacName": { "@language": "en", "@value": "Selenium" }, "skos:exactMatch": { "@id": "wise:CAS_7782-49-2" }, "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "dbo:inchi": "InChI=1S/Se", "rdfs:seeAlso": { "@id": "compound:6326970" } }, { "@id": "csc:ULYZAYCEDJDHCC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dct:isReferencedBy": [ { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_IV_002" }, { "@id": "co:LUC_IV_000" } ], "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:iupacName": { "@language": "en", "@value": "2-CHLOROPROPANE" }, "dbo:smiles": "CC(C)Cl", "dbo:pubchem": { "@value": "6361", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:6361" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbo:casNumber": "75-29-6", "skos:prefLabel": { "@language": "nl", "@value": "2-chloorpropaan" }, "dbp:inchikey": "InChIKey=ULYZAYCEDJDHCC-UHFFFAOYSA-N", "skos:notation": "2ClC3a", "dbo:formula": "C3H7Cl", "dbo:inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" }, { "@id": "csc:KXKVLQRXCPHEJC-UHFFFAOYSA-N", "skos:notation": "C1yactt", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "methylacetaat" }, "dbp:inchikey": "InChIKey=KXKVLQRXCPHEJC-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "METHYL ACETATE" }, "rdfs:seeAlso": { "@id": "compound:6584" }, "dbo:formula": "C3H6O2", "dbo:pubchem": { "@value": "6584", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003416" }, "dct:isReferencedBy": [ { "@id": "co:LUC_IV_004" }, { "@id": "co:LUC_IV_000" } ], "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:casNumber": "79-20-9", "dbo:smiles": "CC(=O)OC", "dbo:inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:HGUFODBRKLSHSI-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzodioxine" }, { "@language": "nl", "@value": " 2,3,7,8-tetrachloordibenzodioxine" }, { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzodioxine (tcdd)" } ], "vcs:vmmParameterId": { "@value": "341", "@type": "xsd:int" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II+ bijlagen" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" } ], "dbo:smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl", "dct:isReferencedBy": { "@id": "co:LUC_VI_002" }, "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", "dbp:inchikey": "InChIKey=HGUFODBRKLSHSI-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzo-p-dioxine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000420" }, "dbo:pubchem": { "@value": "15625", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "C12H4Cl4O2", "dbo:casNumber": [ "56795-67-6", "1746-01-6" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_1746-01-6" }, "rdfs:seeAlso": { "@id": "compound:15625" }, "skos:notation": "PCDD48", "dbo:iupacName": { "@language": "en", "@value": "2,3,7,8-tetrachlorooxanthrene" } }, { "@id": "csc:WSLDOOZREJYCGB-UHFFFAOYSA-N", "dct:isReferencedBy": [ { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_002" } ], "dbo:formula": "C2H4Cl2", "dbo:inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, { "@language": "nl", "@value": "VLAR III (D3)" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.1.4/Art. 5.7.7.1" } ], "dbo:casNumber": [ "107-06-2", "52399-93-6", "7572-29-4" ], "vcs:vmmParameterId": { "@value": "319", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=WSLDOOZREJYCGB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "['1,2-dichloroethane', '1,2-dichloroethyne']" }, "skos:altLabel": { "@language": "nl", "@value": "1,2-dichloorethaan (edc)" }, "dbo:pubchem": { "@value": "11", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2-dichloorethaan" }, "dbo:smiles": "C(CCl)Cl", "skos:exactMatch": { "@id": "wise:CAS_107-06-2" }, "rdfs:seeAlso": { "@id": "compound:11" }, "skos:notation": "12DClC2a" }, { "@id": "csc:LHRCREOYAASXPZ-UHFFFAOYSA-N", "skos:broader": { "@id": 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"skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "C2yctnt", "dbo:pubchem": { "@value": "5354263", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000324" }, "dbo:formula": "C6H10O2", "dbo:casNumber": "10544-63-5", "dbo:smiles": "CCOC(=O)C=CC", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-", "dbo:iupacName": { "@language": "en", "@value": "ethyl (Z)-but-2-enoate" }, "dbp:inchikey": "InChIKey=ZFDIRQKJPRINOQ-HYXAFXHYSA-N", "rdfs:seeAlso": { "@id": "compound:5354263" } }, { "@id": "csc:GADNZGQWPNTMCH-NTMALXAHSA-N", "dbo:smiles": "CCCCC=C(CCC)C=O", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "(Z)-2-propylhept-2-enal" }, "skos:broader": { "@id": "csc:CHEMONTID_0002229" }, "dbo:casNumber": "34880-43-8", "skos:prefLabel": { "@language": "nl", "@value": "2-propyl-2-heptenal" }, 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"@value": "di-n-undecylftalaat" } ], "dbo:smiles": "CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": [ "DC11yFtvteln", "DC11yFt" ], "dbp:inchikey": "InChIKey=QQVHEQUEHCEAKS-UHFFFAOYSA-N", "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:pubchem": { "@value": "19283", "@type": "xsd:int" }, "dbo:casNumber": [ "154766-25-3", "85507-79-5", "3648-20-2" ], "dbo:formula": "C30H50O4", "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "skos:prefLabel": { "@language": "nl", "@value": "diundecylftalaat (vertakt en lineair)" } }, { "@id": "csc:RLFWWDJHLFCNIJ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:2151" }, "skos:prefLabel": { "@language": "nl", "@value": "4-aminoantipyrine" }, "dbo:casNumber": "83-07-8", "skos:broader": { "@id": "csc:CHEMONTID_0002019" }, "dbo:formula": 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"dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F", "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:pubchem": { "@value": "91734", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" } }, { "@id": "csc:DLFVBJFMPXGRIB-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "actAd", "dbo:smiles": "CC(=O)N", "dbo:inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)", "dbo:iupacName": { "@language": "en", "@value": "ACETAMIDE" }, "skos:prefLabel": { "@language": "nl", "@value": "aceetamide" }, "skos:broader": { "@id": "csc:CHEMONTID_0002484" }, "rdfs:seeAlso": { "@id": "compound:178" }, "dbp:inchikey": "InChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, 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