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"25311-71-1" ], "dbo:inchi": "InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C15H24NO4PS", "rdfs:seeAlso": { "@id": "compound:32872" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbp:inchikey": "HOQADATXFBOEGG-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "isofenfos" } }, { "@id": "csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N", "dbo:casNumber": "7440-31-5", "dbo:formula": "Sn", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Sn'" }, { "@language": "nl", "@value": "VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'" }, { "@language": "nl", "@value": "VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'" } ], "skos:altLabel": { "@language": "nl", "@value": "Tin (Sn)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "ATJFFYVFTNAWJD-UHFFFAOYSA-N", "dbo:smiles": "[Sn]", "dbo:inchi": "InChI=1S/Sn", "skos:prefLabel": { "@language": "nl", "@value": "tin" }, "dbo:pubchem": { "@value": "5352426", "@type": "xsd:int" }, "skos:definition": { "@language": "nl", "@value": "tin en tinverbindingen, uitgedrukt als tin (Sn)" }, "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "dbo:iupacName": { "@language": "en", "@value": "TIN" }, "skos:notation": "Sn", "rdfs:seeAlso": { "@id": "compound:5352426" }, "skos:exactMatch": { "@id": "wise:CAS_7440-31-5" } }, { "@id": "csc:SXRSQZLOMIGNAQ-UHFFFAOYSA-N", "dbo:smiles": "C(CC=O)CC=O", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "glutAh", "dbo:casNumber": [ "29257-65-6", "79215-57-9", "111-30-8", "107950-89-0", "37245-61-7" ], "skos:prefLabel": { "@language": "nl", "@value": "glutaaraldehyde" }, "rdfs:seeAlso": { "@id": "compound:3485" }, "dbo:inchi": "InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2", "dbo:pubchem": { "@value": "3485", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C5H8O2", "dbp:inchikey": "SXRSQZLOMIGNAQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Pentanedial" }, "skos:broader": { "@id": "csc:CHEMONTID_0002434" } }, { "@id": "csc:OFCFYWOKHPOXKF-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl", "dbo:iupacName": { "@language": "en", "@value": "1-chloro-4-phenylsulfonylbenzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0004233" }, "dbp:inchikey": "OFCFYWOKHPOXKF-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H", "dbo:formula": "C12H9ClO2S", "skos:notation": "4ClFyFysfn", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6621", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "8012-45-1", "80-00-2" ], "skos:prefLabel": { "@language": "nl", "@value": "4-chloorfenyl fenylsulfon" }, "rdfs:seeAlso": { "@id": "compound:6621" } }, { "@id": "csc:HCHKCACWOHOZIP-IGMARMGPSA-N", "dbo:iupacName": { "@language": "en", "@value": "zinc-65" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "Zn", "dbo:inchi": "InChI=1S/Zn/i1+0", "skos:prefLabel": { "@language": "nl", "@value": "zink 65" }, "dbo:casNumber": "13982-39-3", "dbo:smiles": "[Zn]", "dbo:pubchem": { "@value": "91574", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Zn65", "dbp:inchikey": "HCHKCACWOHOZIP-IGMARMGPSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "rdfs:seeAlso": { "@id": "compound:91574" } }, { "@id": "csc:XAUGWFWQVYXATQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C12H11NO2S", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000038" }, "rdfs:seeAlso": { "@id": "compound:74296" }, "skos:prefLabel": { "@language": "nl", "@value": "benzeensulfonanilide" }, "dbp:inchikey": "XAUGWFWQVYXATQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "74296", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "N-Phenylbenzenesulfonamide" }, "dbo:smiles": "C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2", "dbo:inchi": "InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H", "dbo:casNumber": "1678-25-7", "skos:notation": "Bensfanlde" }, { "@id": "csc:CKPWHXBGVRURFU-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C9H6Cl6O/c10-5-6(11)8(13)4-2-16-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2", "dbo:smiles": "C1C2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:97768" }, "dbo:formula": "C9H6Cl6O", "skos:notation": "endsfetr", "dbo:casNumber": "3369-52-6", "dbo:iupacName": { "@language": "en", "@value": "1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene" }, "skos:broader": { "@id": "csc:CHEMONTID_0002648" }, "dbo:pubchem": { "@value": "97768", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "endosulfanether" }, "dbp:inchikey": "CKPWHXBGVRURFU-UHFFFAOYSA-N" }, { "@id": "csc:XGQJZNCFDLXSIJ-UHFFFAOYSA-N", "skos:notation": "C15al", "dbo:pubchem": { "@value": "17697", "@type": "xsd:int" }, "dbo:smiles": "CCCCCCCCCCCCCCC=O", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:17697" }, "dbo:casNumber": "2765-11-9", "skos:broader": { "@id": "csc:CHEMONTID_0000298" }, "dbo:iupacName": { "@language": "en", "@value": "Pentadecanal" }, "dbp:inchikey": "XGQJZNCFDLXSIJ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "pentadecanal" }, "dbo:formula": "C15H30O", "dbo:inchi": "InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3" }, { "@id": "csc:OXQHJIGWZNIQDS-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "137941", "@type": "xsd:int" }, "skos:notation": "22DC1oxC4a", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "3453-99-4", "skos:broader": { "@id": "csc:CHEMONTID_0004472" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2-dimethoxybutaan" }, "rdfs:seeAlso": { "@id": "compound:137941" }, "dbo:inchi": "InChI=1S/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3", "dbp:inchikey": "OXQHJIGWZNIQDS-UHFFFAOYSA-N", "dbo:formula": "C6H14O2", "dbo:smiles": "CCC(C)(OC)OC", "dbo:iupacName": { "@language": "en", "@value": "2,2-Dimethoxybutane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:HGUFODBRKLSHSI-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "HGUFODBRKLSHSI-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,3,7,8-tetrachlorooxanthrene" }, "skos:notation": "PCDD48", "rdfs:seeAlso": { "@id": "compound:15625" }, "skos:exactMatch": { "@id": "wise:CAS_1746-01-6" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "1746-01-6", "56795-67-6" ], "dbo:formula": "C12H4Cl4O2", "dbo:pubchem": { "@value": "15625", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000420" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzo-p-dioxine" }, "skos:altLabel": [ { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzodioxine (tcdd)" }, { "@language": "nl", "@value": " 2,3,7,8-tetrachloordibenzodioxine" }, { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzodioxine" } ], "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", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" }, { "@language": "nl", "@value": "VLAR II+ bijlagen" } ], "dbo:smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl" }, { "@id": "csc:QFMJFXFXQAFGBO-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004671" }, "dbo:smiles": "COC1=CC(=C(C=C1)N)[N+](=O)[O-]", "dbo:casNumber": "96-96-8", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "4-methoxy-2-nitroaniline" }, "dbo:inchi": "InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:66793" }, "dbo:pubchem": { "@value": "66793", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "4-Methoxy-2-nitroaniline" }, "skos:notation": "4C1ox2NO2An", "dbo:formula": "C7H8N2O3", "dbp:inchikey": "QFMJFXFXQAFGBO-UHFFFAOYSA-N" }, { "@id": "csc:UVCOILFBWYKHHB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "4540", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "norfludiazepam" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:inchi": "InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)", "dbp:inchikey": "UVCOILFBWYKHHB-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004097" }, "dbo:smiles": "C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F", "dbo:casNumber": "2886-65-9", "rdfs:seeAlso": { "@id": "compound:4540" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "norfDazpm", "dbo:formula": "C15H10ClFN2O", "dbo:iupacName": { "@language": "en", "@value": "7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one" } }, { "@id": "csc:YFSUTJLHUFNCNZ-UHFFFAOYSA-N", "dbo:casNumber": [ "1763-23-1", "132324-11-9" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", 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"csc:LGBAGUMSAPUZPU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:175686" }, "skos:notation": "DiC11yFt", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": "96507-86-7", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "bis(9-methyldecyl) benzene-1,2-dicarboxylate" }, "dbo:inchi": "InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3", "dbp:inchikey": "LGBAGUMSAPUZPU-UHFFFAOYSA-N", "dbo:smiles": "CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C", "skos:altLabel": { "@language": "nl", "@value": "di-isoundecylftalaat (mix van isomeren)" }, "dbo:pubchem": { "@value": "175686", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "skos:prefLabel": { "@language": "nl", "@value": "diisoundecylftalaat" }, "dbo:formula": "C30H50O4" }, { "@id": 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"dbo:inchi": "InChI=1S/Ir/i1+0", "dbp:inchikey": "GKOZUEZYRPOHIO-IGMARMGPSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:formula": "Ir", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Ir192", "dbo:pubchem": { "@value": "66373", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "iridium 192" } }, { "@id": "csc:UQMRAFJOBWOFNS-UHFFFAOYSA-N", "skos:notation": "24DC4yEsr", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C12H14Cl2O3", "dbo:smiles": "CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl", "dbo:inchi": "InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3", "rdfs:seeAlso": { "@id": "compound:7206" }, "dbp:inchikey": "UQMRAFJOBWOFNS-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "2,4-D butyl ester" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4-d butyl ester" }, "dbo:iupacName": { "@language": "en", "@value": "butyl 2-(2,4-dichlorophenoxy)acetate" }, "dbo:casNumber": "94-80-4", "dbo:pubchem": { "@value": "7206", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000417" } }, { "@id": "csc:AUODDLQVRAJAJM-GQYOKNPUSA-N", "skos:prefLabel": { "@language": "nl", "@value": "clindamycine, waterstofchloride" }, "dbo:casNumber": "21462-39-5", "dbo:formula": "C18H34Cl2N2O5S", "rdfs:seeAlso": { "@id": "compound:441204" }, "dbp:inchikey": "AUODDLQVRAJAJM-GQYOKNPUSA-N", "dbo:smiles": "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12?,13+,14-,15-,16-,18-;/m1./s1", "dbo:pubchem": { "@value": "441204", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002205" } }, { "@id": "csc:GSWAOPJLTADLTN-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "stikstofoxiden (nox), uitgedrukt als no2" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "H3NO", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "stikstofoxiden (NOx), uitgedrukt als NO2" }, "rdfs:seeAlso": { "@id": "compound:160954" }, "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:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NOx, uitgedrukt als NO2'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NOx'" }, { "@language": "nl", "@value": "VLAR II (D2) 'stikstofoxiden (NOx)'" }, { "@language": "nl", "@value": "VLAR III (D3) 'stikstofmonoxide (NO) en stikstofdioxide (NO2), uitgedrukt in NO2'" }, { "@language": "nl", "@value": "VLAR II (D4) 'stikstofoxiden (uitgedrukt in NO2)'" }, { "@language": "nl", "@value": "VLAR II (D5) 'stikstofoxiden, uitgedrukt in NO2' 'stikstofoxiden (NOx), uitgedrukt als NO2' 'NOx, uitgedrukt als NO2' 'NOx''" }, { "@language": "nl", "@value": " 'NOX als som van stikstofmonoxide (NO) en stikstofdioxide (NO2)'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.3. 'stikstofoxiden'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als stikstofdioxide'" } ], "dbo:inchi": "InChI=1S/H3NO/c1-2/h1H3", "dbo:iupacName": { "@language": "en", "@value": "oxidoazanium" }, "skos:broader": { "@id": "csc:CHEMONTID_0000554" }, "dbo:casNumber": [ "11129-69-4", "11104-93-1" ], "dbo:smiles": "[NH3+][O-]", "dbo:pubchem": { "@value": "160954", "@type": "xsd:int" }, "dbp:inchikey": "GSWAOPJLTADLTN-UHFFFAOYSA-N" }, { "@id": "csc:RVMKCACFKFAJPS-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "PFO4DA", "dbo:smiles": "C(=O)(C(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)O", "rdfs:seeAlso": { "@id": "compound:57358057" }, "dbo:casNumber": "39492-90-5", "dbo:iupacName": { "@language": "en", "@value": "2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetic acid" }, "dbp:inchikey": "RVMKCACFKFAJPS-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6HF11O6/c7-2(8,1(18)19)20-4(12,13)22-6(16,17)23-5(14,15)21-3(9,10)11/h(H,18,19)", "dbo:formula": "C6HF11O6", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "57358057", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluor-3,5,7,9-tetraoxadecaanzuur" } }, { "@id": "csc:BQYJATMQXGBDHF-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "difenoconazool" }, "dbo:smiles": "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C19H17Cl2N3O3", "dbo:pubchem": { "@value": "86173", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004155" }, "dbo:inchi": "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3", "dbo:iupacName": { "@language": "en", "@value": "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" }, "rdfs:seeAlso": { "@id": "compound:86173" }, "skos:notation": "Dfncnzl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "BQYJATMQXGBDHF-UHFFFAOYSA-N", "dbo:casNumber": "119446-68-3" }, { "@id": "csc:ZNQVEEAIQZEUHB-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "8076", "@type": "xsd:int" }, "dbo:casNumber": [ "110-80-5", "96231-36-6" ], "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:smiles": "CCOCCO", "dbo:inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3", "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbp:inchikey": "ZNQVEEAIQZEUHB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-Ethoxyethanol" }, "rdfs:seeAlso": { "@id": "compound:8076" }, "skos:notation": "2C2oxC2ol", "skos:prefLabel": { "@language": "nl", "@value": "2-ethoxyethanol" }, "dbo:formula": "C4H10O2" }, { "@id": "csc:WGYKZJWCGVVSQN-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Propan-1-amine" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "107-10-8", "68187-44-0", "42939-71-9", "68187-43-9", "68130-70-1", "68130-69-8", "68187-45-1" ], "skos:broader": { "@id": "csc:CHEMONTID_0000469" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3", "dbo:pubchem": { "@value": "7852", "@type": "xsd:int" }, "dbp:inchikey": "WGYKZJWCGVVSQN-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7852" }, "skos:prefLabel": { "@language": "nl", "@value": "1-aminopropaan" }, "dbo:smiles": "CCCN", "dbo:formula": "C3H9N", "skos:notation": "1AoC3a" }, { "@id": "csc:AXKZIDYFAMKWSA-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "16DOxccC12a7", "rdfs:seeAlso": { "@id": "compound:13064" }, "dbo:formula": "C10H16O4", "dbo:smiles": "C1CCC(=O)OCCCCOC(=O)C1", "skos:prefLabel": { "@language": "nl", "@value": "1,6-dioxacyclododecaan-7,12-dion" }, "skos:broader": { "@id": "csc:CHEMONTID_0000147" }, "dbo:casNumber": "777-95-7", "dbo:iupacName": { "@language": "en", "@value": "1,6-DIOXACYCLODODECANE-7,12-DIONE" }, "dbo:pubchem": { "@value": "13064", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2", "dbp:inchikey": "AXKZIDYFAMKWSA-UHFFFAOYSA-N" }, { "@id": "csc:KVBKAPANDHPRDG-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "1,2-dibroomtetrafluorethaan" }, "dbo:formula": "C2Br2F4", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:inchi": "InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8", "dbo:casNumber": [ "124-73-2", "76199-55-8" ], "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbo:iupacName": { "@language": "en", "@value": "1,2-Dibromo-1,1,2,2-tetrafluoroethane" }, "dbo:pubchem": { "@value": "31301", "@type": "xsd:int" }, "dbo:smiles": "C(C(F)(F)Br)(F)(F)Br", "skos:notation": "halon2402", "dbp:inchikey": "KVBKAPANDHPRDG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:31301" } }, { "@id": "csc:NPYPAHLBTDXSSS-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000425" }, "dbp:inchikey": "NPYPAHLBTDXSSS-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "potassium(+1) cation" }, "skos:exactMatch": { "@id": "wise:CAS_7440-09-7" }, "dbo:smiles": "[K+]", "skos:notation": "K+", "skos:altLabel": { "@language": "nl", "@value": "kalium" }, "skos:prefLabel": { "@language": "nl", "@value": "kalium, eenwaardig" }, "dbo:casNumber": [ "24203-36-9", "7440-09-7" ], "dbo:inchi": "InChI=1S/K/q+1", "rdfs:seeAlso": { "@id": "compound:813" }, "dbo:formula": "K+", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "813", "@type": "xsd:int" } }, { "@id": "csc:DIAQQISRBBDJIM-DRSCAGMXSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "microsystine-LA" }, "dbo:pubchem": { "@value": "6437382", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002010" }, "skos:notation": "MC-LA", "dbo:smiles": "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)C)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C", "dbo:casNumber": "96180-79-9", "rdfs:seeAlso": { "@id": "compound:6437382" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid" }, "dbo:inchi": "InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1", "dbo:formula": "C46H67N7O12", "dbp:inchikey": "DIAQQISRBBDJIM-DRSCAGMXSA-N" }, { "@id": "csc:HGLDOAKPQXAFKI-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "CALIFORNIUM" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "skos:prefLabel": { "@language": "nl", "@value": "californium" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "23997", "@type": "xsd:int" }, "skos:notation": "Cf", "dbo:formula": "Cf", "dbo:inchi": "InChI=1S/Cf", "rdfs:seeAlso": { "@id": "compound:23997" }, "dbo:casNumber": [ "22541-43-1", "7440-71-3" ], "dbp:inchikey": "HGLDOAKPQXAFKI-UHFFFAOYSA-N", "dbo:smiles": "[Cf]" }, { "@id": "csc:ZCTNDJSCLPJCRA-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H3Cl5O/c13-4-1-2-6-5(3-4)7-8(14)9(15)10(16)11(17)12(7)18-6/h1-3H", "dbo:casNumber": "67517-48-0", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:49923" }, "skos:notation": "PCDF89", "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,4,8-pentachloordibenzofuraan" }, "skos:broader": { "@id": "csc:CHEMONTID_0003029" }, "dbp:inchikey": "ZCTNDJSCLPJCRA-UHFFFAOYSA-N", "dbo:smiles": "C1=CC2=C(C=C1Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,8-PENTACHLORODIBENZOFURAN" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C12H3Cl5O", "dbo:pubchem": { "@value": "49923", "@type": "xsd:int" } }, { "@id": "csc:YVBGRQLITPHVOP-UHFFFAOYSA-L", "skos:notation": "NaTplPO4", "dbo:inchi": "InChI=1S/2Na.H5O10P3/c;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "disodium [hydroxy-(hydroxy-oxidophosphoryl)oxyphosphoryl] hydrogen phosphate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "13573-18-7", "skos:broader": { "@id": "csc:CHEMONTID_0000656" }, "dbo:smiles": "OP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-].[Na+].[Na+]", "rdfs:seeAlso": { "@id": "compound:26118" }, "dbo:formula": "H3Na2O10P3", "dbo:pubchem": { "@value": "26118", "@type": "xsd:int" }, "dbp:inchikey": "YVBGRQLITPHVOP-UHFFFAOYSA-L", "skos:prefLabel": { "@language": "nl", "@value": "natriumtripolyfosfaat" } }, { "@id": "csc:VHYCDWMUTMEGQY-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "VHYCDWMUTMEGQY-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O", "dbo:pubchem": { "@value": "2405", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "bisoprolol" }, "skos:broader": { "@id": "csc:CHEMONTID_0002542" }, "dbo:formula": "C18H31NO4", "dbo:iupacName": { "@language": "en", "@value": "1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol" }, "skos:notation": "bispll", "dbo:inchi": "InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3", "dbo:casNumber": "66722-44-9", "rdfs:seeAlso": { "@id": "compound:2405" } }, { "@id": "csc:CVKMFSAVYPAZTQ-ZCFIWIBFSA-M", "rdfs:seeAlso": { "@id": "compound:6999857" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "CVKMFSAVYPAZTQ-ZCFIWIBFSA-M", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCC(C)C(=O)[O-]", "dbo:iupacName": { "@language": "en", "@value": "(2R)-2-methylhexanoate" }, "dbo:inchi": "InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1/t6-/m1/s1", "dbo:casNumber": "4536-23-6", "dbo:formula": "C7H13O2-", "skos:broader": { "@id": "csc:CHEMONTID_0003086" }, "skos:notation": "2C1yC6azr", "dbo:pubchem": { "@value": "6999857", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methylhexaanzuur" } }, { "@id": "csc:LQOLIRLGBULYKD-JKIFEVAISA-N", "dbo:casNumber": [ "8056-79-9", "50763-55-8", "61-72-3" ], "skos:notation": "cloxclne", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004830" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:6098" }, 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"dbo:pubchem": { "@value": "5359596", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "arseen" }, "skos:definition": { "@language": "nl", "@value": "arseen en arseenverbindingen, uitgedrukt als arseen (As)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:IGFHQQFPSIBGKE-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:1752" }, "dbo:formula": "C15H24O", "dbo:casNumber": [ "104-40-5", "68081-86-7", "29832-11-9" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "4-nonylfenol" }, "skos:notation": "4C9yFol", "skos:exactMatch": { "@id": "wise:CAS_104-40-5" }, "dbo:inchi": "InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3", "dbo:iupacName": { "@language": "en", "@value": "4-NONYLPHENOL" }, "skos:altLabel": { "@language": "nl", "@value": "4-n-nonylfenol" }, "dbo:smiles": 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"csc:CHEMONTID_0002341" }, "dbp:inchikey": "TVLSRXXIMLFWEO-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "prochloraz" }, "dbo:formula": "C15H16Cl3N3O2", "rdfs:seeAlso": { "@id": "compound:73665" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3", "dbo:smiles": "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2" }, { "@id": "csc:ZUOUZKKEUPVFJK-UHFFFAOYSA-N", "dbp:inchikey": "ZUOUZKKEUPVFJK-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_92-52-4" }, "skos:prefLabel": { "@language": "nl", "@value": "difenyl" }, "skos:altLabel": { "@language": "nl", "@value": "bifenyl" }, "dbo:pubchem": { "@value": "7095", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:7095" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "C1=CC=C(C=C1)C2=CC=CC=C2", "skos:notation": "biFy", "dbo:casNumber": [ "68409-73-4", "92-52-4", "72931-46-5", "81846-81-3", "56481-93-7" ], "skos:broader": { "@id": "csc:CHEMONTID_0000041" }, "dbo:inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C12H10", "dbo:iupacName": { "@language": "en", "@value": "Phenylbenzene" } }, { "@id": "csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "kobalt (Co)" }, { "@language": "nl", "@value": "kobalt" } ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "Co", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'kobalt en zijn verbindingen, uitgedrukt in Co'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Co'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'" }, { "@language": "nl", "@value": "VLAR II D5 'kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'" } ], 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"dbo:ChemicalCompound" ], "dbp:inchikey": "STCOOQWBFONSKY-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_126-73-8" }, "dbo:pubchem": { "@value": "31357", "@type": "xsd:int" }, "dbo:smiles": "CCCCOP(=O)(OCCCC)OCCCC", "rdfs:seeAlso": { "@id": "compound:31357" }, "skos:notation": "TC4yPO4", "dbo:formula": "C12H27O4P", "dbo:inchi": "InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3", "dbo:iupacName": { "@language": "en", "@value": "['tributoxy-hydroxyphosphanium', 'Tributyl phosphate']" }, "skos:altLabel": { "@language": "nl", "@value": "tri-n-butylfosfaat" }, "skos:prefLabel": { "@language": "nl", "@value": "tributylfosfaat" } }, { "@id": "csc:ARERIMFZYPFJAV-UHFFFAOYSA-N", "dbp:inchikey": "ARERIMFZYPFJAV-UHFFFAOYSA-N", "dbo:casNumber": [ "82458-12-6", "115633-92-6", "40088-47-9" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:exactMatch": { "@id": "wise:CAS_40088-47-9" }, "dbo:smiles": "C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "tetrabroomdifenylether" }, "dbo:pubchem": { "@value": "38386", "@type": "xsd:int" }, "dbo:formula": "C12H6Br4O", "skos:broader": { "@id": "csc:CHEMONTID_0001845" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-tribromo-4-(4-bromophenoxy)benzene" }, "dbo:inchi": "InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H", "rdfs:seeAlso": { "@id": "compound:38386" } }, { "@id": "csc:GYFAGKUZYNFMBN-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_191-24-2" }, "dbo:casNumber": "191-24-2", "dbo:smiles": "C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene" }, "dbo:inchi": "InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H", "skos:broader": { "@id": "csc:CHEMONTID_0000316" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C22H12", "skos:altLabel": [ { "@language": "nl", "@value": "benzo(g,h,i)peryleen" }, { "@language": "nl", "@value": "benzo(ghi)peryleen" }, { "@language": "nl", "@value": "benzo(g,h,i)peryleen (b)" } ], "skos:prefLabel": { "@language": "nl", "@value": "benzo(g,h,i)pery-leen" }, "skos:notation": "BghiPe", "dbp:inchikey": "GYFAGKUZYNFMBN-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "9117", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:9117" } }, { "@id": "csc:TUAMRELNJMMDMT-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "3,5-dimethylfenol" }, "dbp:inchikey": "TUAMRELNJMMDMT-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C8H10O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], 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"dbo:smiles": "C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl", "dbo:formula": "C12H6Cl4", "dbo:casNumber": [ "80333-65-9", "32598-13-3" ], "dbo:inchi": "InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H", "dbo:iupacName": { "@language": "en", "@value": "1,2-dichloro-4-(3,4-dichlorophenyl)benzene" }, "dbp:inchikey": "UQMGJOKDKOLIDP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "36187", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:36187" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "skos:prefLabel": { "@language": "nl", "@value": "pcb77" } }, { "@id": "csc:NLBLNZDNOSSGPW-UHFFFAOYSA-N", "dbo:casNumber": [ "68928-80-3", "113172-79-5", "139598-16-6" ], "skos:exactMatch": { "@id": "wise:CAS_68928-80-3" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "NLBLNZDNOSSGPW-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H3Br7O/c13-4-2-1-3-5(6(4)14)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H", "skos:broader": { "@id": "csc:CHEMONTID_0001845" }, "skos:prefLabel": { "@language": "nl", "@value": "heptabroomdifenylether" }, "rdfs:seeAlso": { "@id": "compound:3034400" }, "dbo:smiles": "C1=CC(=C(C(=C1)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br", "dbo:formula": "C12H3Br7O", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentabromo-6-(2,3-dibromophenoxy)benzene" }, "dbo:pubchem": { "@value": "3034400", "@type": "xsd:int" } }, { "@id": "csc:YCOXTKKNXUZSKD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "3,4-Dimethylphenol" }, "dbp:inchikey": "YCOXTKKNXUZSKD-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_95-65-8" }, "dbo:smiles": "CC1=C(C=C(C=C1)O)C", "rdfs:seeAlso": { "@id": "compound:7249" }, "skos:prefLabel": { "@language": "nl", "@value": "3,4-dimethylfenol" }, "dbo:pubchem": { "@value": "7249", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "34DC1yFol", "skos:broader": { "@id": "csc:CHEMONTID_0001275" }, "dbo:casNumber": "95-65-8", "dbo:formula": "C8H10O", "dbo:inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" }, { "@id": "csc:IVSZLXZYQVIEFR-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7929", "@type": "xsd:int" }, "skos:altLabel": [ { "@language": "nl", "@value": "m-xyleen" }, { "@language": "nl", "@value": "1,3-xyleen" }, { "@language": "nl", "@value": "1,3-Dimethylbenzeen" } ], "dbo:casNumber": "108-38-3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:exactMatch": { "@id": "wise:CAS_108-38-3" }, "rdfs:seeAlso": { "@id": "compound:7929" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'xylenen'" }, "skos:prefLabel": { "@language": "nl", "@value": "meta-xyleen" }, "dbo:iupacName": { "@language": "en", "@value": "1,3-Dimethylbenzene" }, "dbp:inchikey": "IVSZLXZYQVIEFR-UHFFFAOYSA-N", "dbo:formula": "C8H10", "skos:broader": { "@id": "csc:CHEMONTID_0004209" }, "skos:notation": "13xyln", "dbo:inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3", "dbo:smiles": "CC1=CC(=CC=C1)C" }, { "@id": "csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "ammoniak" }, "dbo:casNumber": [ "17778-88-0", "214478-05-4", "7664-41-7", "15194-15-7", "13774-92-0", "8007-57-6", "208990-07-2" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NH3'" }, { "@language": "nl", "@value": "VLAR II (D2/D5) 'ammoniak' en 'ammoniak (NH3)' en 'NH3'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'ammoniak'" } ], "skos:altLabel": { "@language": "nl", "@value": "ammoniak (NH3)" }, "dbo:pubchem": { "@value": "222", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "dbp:inchikey": "QGZKDVFQNNGYKY-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:222" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "['$l^{1}-azane', 'azane']" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "H3N", "skos:notation": "NH3", "dbo:inchi": "InChI=1S/H3N/h1H3", "dbo:smiles": "N", "skos:exactMatch": { "@id": "wise:CAS_7664-41-7" } }, { "@id": "csc:ODLMAHJVESYWTB-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:altLabel": [ { "@language": "nl", "@value": "propylbenzeen" }, { "@language": "nl", "@value": "n-propylbenzeen" } ], "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "dbp:inchikey": "ODLMAHJVESYWTB-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_103-65-1" }, "dbo:pubchem": { "@value": "7668", "@type": "xsd:int" }, "dbo:formula": "C9H12", "rdfs:seeAlso": { "@id": "compound:7668" }, "dbo:smiles": "CCCC1=CC=CC=C1", "skos:prefLabel": { "@language": "nl", "@value": "1-propylbenzeen" }, "skos:notation": "1C3yBen", "dbo:iupacName": { "@language": "en", "@value": "Propylbenzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "74296-31-4", "103-65-1" ], "dbo:inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" }, { "@id": "csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N", "dbo:casNumber": [ "7440-43-9", "22537-48-0" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'cadmium en de verbindingen daarvan, uitgedrukt als cadmium (Cd)" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Cd'" }, { "@language": "nl", "@value": "VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'cadmium en zijn verbindingen, uitgedrukt in Cd'" }, { "@language": "nl", "@value": "VLAR Bijl. 2.5.2 en bijl. 2.5.8.1. 'cadmium'" }, { "@language": "nl", "@value": "VLAR II (D2) 'cadmium'" }, { "@language": "nl", "@value": "VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'" } ], "skos:altLabel": { "@language": "nl", "@value": "Cadmium (Cd)" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:exactMatch": { "@id": "wise:CAS_7440-43-9" }, "dbo:formula": "Cd+2", "dbo:pubchem": { "@value": "31193", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Cd/q+2", "rdfs:seeAlso": { "@id": "compound:31193" }, "dbo:smiles": "[Cd+2]", "dbp:inchikey": "WLZRMCYVCSSEQC-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "cadmium" }, "dbo:iupacName": { "@language": "en", "@value": "cadmium(+2) cation" }, "skos:notation": "Cd", "skos:definition": { "@language": "nl", "@value": "cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)" } }, { "@id": "csc:SQFLFRQWPBEDHM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6975" }, "dbo:pubchem": { "@value": "6975", "@type": "xsd:int" }, "dbo:smiles": "CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": "89-59-8", "dbo:formula": "C7H6ClNO2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_89-59-8" }, "dbo:inchi": "InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3", "skos:prefLabel": { "@language": "nl", "@value": "4-chloor-2-nitrotolueen" }, "dbp:inchikey": "SQFLFRQWPBEDHM-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-chloro-1-methyl-2-nitrobenzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "skos:notation": "4Cl2NO2Tol" }, { "@id": "csc:ZPQOPVIELGIULI-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "1,3-dichloorbenzeen" }, "dbp:inchikey": "ZPQOPVIELGIULI-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C6H4Cl2", "dbo:inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H", "dbo:pubchem": { "@value": "10943", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=CC(=C1)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,3-Dichlorobenzene" }, "skos:notation": "13DClBen", "dbo:casNumber": [ "541-73-1", "63697-17-6" ], "skos:exactMatch": { "@id": "wise:CAS_541-73-1" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "rdfs:seeAlso": { "@id": "compound:10943" } }, { "@id": "csc:FSAVDKDHPDSCTO-WQLSENKSSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "cis-chloorfenvinfos" }, "dbo:casNumber": [ "135373-33-0", "18708-87-7" ], "dbo:formula": "C12H14Cl3O4P", "dbo:pubchem": { "@value": "5377784", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_18708-87-7" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "FSAVDKDHPDSCTO-WQLSENKSSA-N", "dbo:smiles": "CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl", "skos:altLabel": { "@language": "nl", "@value": "Alfa-chloorfenvinfos" }, "skos:notation": "aClfvfs", "rdfs:seeAlso": { "@id": "compound:5377784" }, "dbo:inchi": "InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-", "dbo:iupacName": { "@language": "en", "@value": "['[2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate', '[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate']" } }, { "@id": "csc:OAICVXFJPJFONN-UHFFFAOYSA-N", "dbo:casNumber": "7723-14-0", "dbo:inchi": "InChI=1S/P", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "OAICVXFJPJFONN-UHFFFAOYSA-N", "dbo:formula": "P", "skos:prefLabel": { "@language": "nl", "@value": "fosfor" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "[P]", "skos:exactMatch": { "@id": "wise:CAS_7723-14-0" }, "dbo:iupacName": { "@language": "en", "@value": "Phosphorus" }, "dbo:pubchem": { "@value": "5462309", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "rdfs:seeAlso": { "@id": "compound:5462309" } }, { "@id": "csc:CFKMVGJGLGKFKI-UHFFFAOYSA-N", "dbo:formula": "C7H7ClO", "skos:broader": { "@id": "csc:CHEMONTID_0001273" }, "skos:exactMatch": { "@id": "wise:CAS_59-50-7" }, "dbo:pubchem": { "@value": "1732", "@type": "xsd:int" }, "skos:notation": "4Cl3C1yFol", "dbo:casNumber": "59-50-7", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "4-Chloro-3-methylphenol" }, "dbp:inchikey": "CFKMVGJGLGKFKI-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "4-chloor-3-methylfenol" }, "rdfs:seeAlso": { "@id": "compound:1732" }, "dbo:smiles": "CC1=C(C=CC(=C1)O)Cl" }, { "@id": "csc:YNPNZTXNASCQKK-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_85-01-8" }, "skos:prefLabel": { "@language": "nl", "@value": "fenantreen" }, "dbo:pubchem": { "@value": "995", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Phenanthrene" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:995" }, "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=CC=CC=C32", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Fen", "dbp:inchikey": "YNPNZTXNASCQKK-UHFFFAOYSA-N", "dbo:casNumber": "85-01-8", "dbo:formula": "C14H10", "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "dbo:inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" }, { "@id": "csc:LVYBAQIVPKCOEE-UHFFFAOYSA-N", "dbo:smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C12H2Cl6O", "skos:notation": "PCDF118", "skos:altLabel": [ { "@language": "nl", "@value": "1,2,3,4,7,8-hexachloordibenzofuraan (hxcdf)" }, { "@language": "nl", "@value": "1,2,3,4,7,8-hexachloordibenzofuran" }, { "@language": "nl", "@value": " 1,2,3,4,7,8-hexachloordibenzofuraan" } ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" }, { "@language": "nl", "@value": "VLAR II+ bijlagen" } ], "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,4,7,8-hexachloordibenzofuraan" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,7,8-HEXACHLORODIBENZOFURAN" }, "rdfs:seeAlso": { "@id": "compound:51130" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003029" }, "skos:exactMatch": { "@id": "wise:CAS_70648-26-9" }, "dbp:inchikey": "LVYBAQIVPKCOEE-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H", "dbo:pubchem": { "@value": "51130", "@type": "xsd:int" }, "dbo:casNumber": "70648-26-9" }, { "@id": "csc:OEJNXTAZZBRGDN-UHFFFAOYSA-N", "dbo:formula": "C10H8Cl8", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "OEJNXTAZZBRGDN-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "toxafeen" }, "skos:notation": "toxafn", "dbo:pubchem": { "@value": "5284469", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:5284469" }, "skos:broader": { "@id": "csc:CHEMONTID_0001564" }, "skos:exactMatch": { "@id": "wise:CAS_8001-35-2" }, "dbo:casNumber": "8001-35-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2", "dbo:smiles": "C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,7,7-hexachloro-6,6-bis(chloromethyl)-5-methylidenebicyclo[2.2.1]heptane" } }, { "@id": "csc:JXSJBGJIGXNWCI-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "malathion" }, "dbo:iupacName": { "@language": "en", "@value": "diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate" }, "skos:broader": { "@id": "csc:CHEMONTID_0000324" }, "skos:exactMatch": { "@id": "wise:CAS_121-75-5" }, "dbo:smiles": "CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC", "dbo:casNumber": [ "121-75-5", "11096-67-6" ], "dbo:formula": "C10H19O6PS2", "rdfs:seeAlso": { "@id": "compound:4004" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "4004", "@type": "xsd:int" }, "skos:notation": "malton", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3", "dbp:inchikey": "JXSJBGJIGXNWCI-UHFFFAOYSA-N" }, { "@id": "csc:CIOAGBVUUVVLOB-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/Sr", "skos:notation": "Sr", "dbo:iupacName": { "@language": "en", "@value": "STRONTIUM" }, "skos:broader": { "@id": "csc:CHEMONTID_0000428" }, "dbo:formula": "Sr", "dbo:smiles": "[Sr]", "dbp:inchikey": "CIOAGBVUUVVLOB-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_7440-24-6" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:5359327" }, "skos:prefLabel": { "@language": "nl", "@value": "strontium" }, "dbo:pubchem": { "@value": "5359327", "@type": "xsd:int" }, "dbo:casNumber": "7440-24-6" }, { "@id": "csc:RDYMFSUJUZBWLH-GDSHQCHSSA-N", "dbo:casNumber": [ "29106-31-8", "19595-59-6", "12640-58-3", "959-98-8", "33213-66-0" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "RDYMFSUJUZBWLH-GDSHQCHSSA-N", "skos:exactMatch": { "@id": "wise:CAS_959-98-8" }, "dbo:inchi": "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m1/s1", 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"@value": "azane; [2-(bis(phosphonomethyl)amino)ethyl-(phosphonomethyl)amino]methylphosphonic acid" }, "dbo:pubchem": { "@value": "162806", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C6H20N2O12P4.H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);1H3", "dbo:smiles": "C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O.N", "skos:broader": { "@id": "csc:CHEMONTID_0001302" }, "dbo:formula": "C6H23N3O12P4", "skos:notation": "EDTMP" }, { "@id": "csc:DMQQXDPCRUGSQB-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C11H18N2O8", "skos:notation": "13C3yeDAeT4H", "dbo:smiles": "C(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002966" }, "dbo:casNumber": [ "1939-36-2", "161122-34-5" ], "skos:prefLabel": { "@language": "nl", "@value": "1,3-propyleendiaminetatraazijnzuur" }, "dbo:pubchem": { "@value": "80296", "@type": "xsd:int" }, "dbp:inchikey": "DMQQXDPCRUGSQB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-[3-(bis(carboxymethyl)amino)propyl-(carboxymethyl)amino]acetic acid" }, "rdfs:seeAlso": { "@id": "compound:80296" } }, { "@id": "csc:XBDQKXXYIPTUBI-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)", "dbo:pubchem": { "@value": "1032", "@type": "xsd:int" }, "dbo:smiles": "CCC(=O)O", "skos:altLabel": { "@language": "nl", "@value": "propionzuur " }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:iupacName": { "@language": "en", "@value": "Propanoic acid" }, "dbo:casNumber": [ "79-09-4", "68937-68-8", "68990-37-4", "3349-08-4", "784139-72-6" ], "dbo:formula": "C3H6O2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001205" }, "skos:notation": "propozr", "dbp:inchikey": "XBDQKXXYIPTUBI-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:1032" }, "skos:prefLabel": { "@language": "nl", "@value": "propionzuur" } }, { "@id": "csc:VWQVUPCCIRVNHF-UHFFFAOYSA-N", "dbo:casNumber": [ "110123-45-0", "7440-65-5", "27151-36-6" ], "dbo:iupacName": { "@language": "en", "@value": "YTTRIUM" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "Y", "skos:notation": "Y", "dbo:pubchem": { "@value": "23993", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:inchi": "InChI=1S/Y", "skos:prefLabel": { "@language": "nl", "@value": "yttrium" }, "dbo:smiles": "[Y]", "dbp:inchikey": "VWQVUPCCIRVNHF-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:23993" } }, { "@id": "csc:PCKNFPQPGUWFHO-UQRQXUALSA-N", "rdfs:seeAlso": { "@id": "compound:6537963" }, "dbo:inchi": "InChI=1S/C25H20ClF2N3O3/c26-18-10-8-17(9-11-18)23(16-6-7-16)31-34-14-15-4-12-19(13-5-15)29-25(33)30-24(32)22-20(27)2-1-3-21(22)28/h1-5,8-13,16H,6-7,14H2,(H2,29,30,32,33)/b31-23+", "skos:notation": "fluccxrn", "skos:prefLabel": { "@language": "nl", "@value": "flucycloxuron" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "6537963", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "N-[[4-[[[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide" }, "skos:broader": { "@id": "csc:CHEMONTID_0001935" }, "dbo:formula": "C25H20ClF2N3O3", "dbo:smiles": "C1CC1C(=NOCC2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F)C4=CC=C(C=C4)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "PCKNFPQPGUWFHO-UQRQXUALSA-N", "dbo:casNumber": "113036-88-7" }, { "@id": "csc:WGQKYBSKWIADBV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "phenylmethanamine" }, "dbo:inchi": "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2", "rdfs:seeAlso": { "@id": "compound:7504" }, "skos:prefLabel": { "@language": "nl", "@value": "benzylamine" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C1=CC=C(C=C1)CN", "skos:notation": "benzAe", "dbo:pubchem": { "@value": "7504", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000185" }, "dbo:casNumber": "100-46-9", "dbo:formula": "C7H9N", "dbp:inchikey": "WGQKYBSKWIADBV-UHFFFAOYSA-N" }, { "@id": "csc:WDZLGCSJJWEQJO-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "11603678", "@type": "xsd:int" }, "dbp:inchikey": "WDZLGCSJJWEQJO-UHFFFAOYSA-N", "dbo:smiles": "C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C6H2F13NO2S", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "PFHxSA", "dbo:casNumber": "41997-13-1", "skos:broader": { "@id": "csc:CHEMONTID_0003966" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluorhexaansulfonamide" }, "dbo:inchi": "InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)", "rdfs:seeAlso": { "@id": "compound:11603678" } }, { "@id": "csc:AMEKQAFGQBKLKX-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" }, "dbo:smiles": "CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2", "skos:broader": { "@id": "csc:CHEMONTID_0000285" }, "dbo:casNumber": "5259-88-1", "dbo:inchi": "InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C12H13NO4S", "dbo:pubchem": { "@value": "21330", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:21330" }, "skos:prefLabel": { "@language": "nl", "@value": "oxycarboxin" }, "skos:notation": "OxcbOxn", "dbp:inchikey": "AMEKQAFGQBKLKX-UHFFFAOYSA-N" }, { "@id": "csc:PPDBOQMNKNNODG-ZROIWOOFSA-N", "dbo:iupacName": { "@language": "en", "@value": "(5Z)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" }, "skos:prefLabel": { "@language": "nl", "@value": "triticonazool" }, "dbo:inchi": "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbp:inchikey": "PPDBOQMNKNNODG-ZROIWOOFSA-N", "dbo:smiles": "CC1(CCC(=CC2=CC=C(C=C2)Cl)C1(CN3C=NC=N3)O)C", "dbo:formula": "C17H20ClN3O", "rdfs:seeAlso": { "@id": "compound:6436449" }, "skos:notation": "Ttcnzl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6436449", "@type": "xsd:int" }, "dbo:casNumber": "131983-72-7" }, { "@id": "csc:QILSFLSDHQAZET-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C(C=C1)C(C2=CC=CC=C2)O", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "C13H12O", "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "dbp:inchikey": "QILSFLSDHQAZET-UHFFFAOYSA-N", "dbo:casNumber": "91-01-0", "dbo:inchi": "InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H", "dbo:pubchem": { "@value": "7037", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "alfa-fenylbenzeenmethanol" }, "dbo:iupacName": { "@language": "en", "@value": "di(phenyl)methanol" }, "rdfs:seeAlso": { "@id": "compound:7037" }, "skos:notation": "aFyBenC1ol", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:DECPGQLXYYCNEZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "DECPGQLXYYCNEZ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C24H51O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3", "dbo:pubchem": { "@value": "90714", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004484" }, "dbo:smiles": "CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C", "dbo:casNumber": [ "25103-12-2", "51845-93-3", "5406-92-8" ], "dbo:iupacName": { "@language": "en", "@value": "tris(6-methylheptyl) phosphite" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "TC8yPO4", "skos:prefLabel": { "@language": "nl", "@value": "trioctylfosfaat" }, "rdfs:seeAlso": { "@id": "compound:90714" }, "dbo:formula": "C24H51O3P" }, { "@id": "csc:AHOUBRCZNHFOSL-YOEHRIQHSA-N", "dbo:smiles": "C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine" }, "dbo:inchi": "InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1", "rdfs:seeAlso": { "@id": "compound:43815" }, "dbo:casNumber": [ "63952-24-9", "61869-08-7", "110429-35-1" ], "dbp:inchikey": "AHOUBRCZNHFOSL-YOEHRIQHSA-N", "dbo:formula": "C19H20FNO3", "skos:broader": { "@id": "csc:CHEMONTID_0000303" }, "dbo:pubchem": { "@value": "43815", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "paroetne", "skos:prefLabel": { "@language": "nl", "@value": "paroxetine" } }, { "@id": "csc:XXPRRHYTDCWGRP-UHFFFAOYSA-N", "dbp:inchikey": "XXPRRHYTDCWGRP-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003338" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "NPEO8", "dbo:smiles": "CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCO", "dbo:casNumber": [ "27177-05-5", "41506-14-3" ], "rdfs:seeAlso": { "@id": "compound:72384" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C31H56O9", "skos:prefLabel": { "@language": "nl", "@value": "nonylfenoloctaethoxylaat" }, "dbo:pubchem": { "@value": "72384", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol" }, "dbo:inchi": "InChI=1S/C31H56O9/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)40-29-28-39-27-26-38-25-24-37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32/h10-13,32H,2-9,14-29H2,1H3" }, { "@id": "csc:AEMFNILZOJDQLW-QAGGRKNESA-N", "dbo:pubchem": { "@value": "6128", "@type": "xsd:int" }, "dbo:casNumber": [ "63-05-8", "104534-78-3", "117598-81-9" ], "dbp:inchikey": "AEMFNILZOJDQLW-QAGGRKNESA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001467" }, "dbo:inchi": "InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "androsteendion" }, "dbo:smiles": "CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C", "dbo:iupacName": { "@language": "en", "@value": "(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione" }, "skos:notation": "andtdn", "dbo:formula": "C19H26O2", "rdfs:seeAlso": { "@id": "compound:6128" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:NBQCNZYJJMBDKY-UHFFFAOYSA-N", "dbp:inchikey": "NBQCNZYJJMBDKY-UHFFFAOYSA-N", "dbo:casNumber": "5902-51-2", "dbo:formula": "C9H13ClN2O2", "skos:broader": { "@id": "csc:CHEMONTID_0001893" }, "skos:notation": "terbcl", "skos:prefLabel": { "@language": "nl", "@value": "terbacil" }, "rdfs:seeAlso": { "@id": "compound:22188" }, "dbo:pubchem": { "@value": "22188", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)", "dbo:smiles": "CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl" }, { "@id": "csc:BTZVKSVLFLRBRE-UHFFFAOYSA-N", "dbp:inchikey": "BTZVKSVLFLRBRE-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C6H12O3", "dbo:smiles": "CC(COC(=O)C)OC", "dbo:pubchem": { "@value": "51132", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methoxypropylacetaat" }, "skos:notation": "2C1oxC3yactt", "rdfs:seeAlso": { "@id": "compound:51132" }, "dbo:iupacName": { "@language": "en", "@value": "2-Methoxypropyl acetate" }, "dbo:casNumber": "70657-70-4", "skos:broader": { "@id": "csc:CHEMONTID_0001238" } }, { "@id": "csc:UGFAIRIUMAVXCW-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "155399-52-3", "82063-46-5", "153929-54-5", "630-08-0", "167416-30-0", "162342-48-5", "192819-80-0", "18421-60-8" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'koolstofmonoxide'" }, { "@language": "nl", "@value": "VLAR bijl. 2.5.3. diverse plaatsen 'koolmonoxide'" }, { "@language": "nl", "@value": "VLAR II (D2) 'koolmonoxide'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'CO'" } ], "rdfs:seeAlso": { "@id": "compound:281" }, "dbo:formula": "CO", "skos:prefLabel": { "@language": "nl", "@value": "koolstofmonoxide" }, "dbo:pubchem": { "@value": "281", "@type": "xsd:int" }, "dbp:inchikey": "UGFAIRIUMAVXCW-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "CO", "skos:altLabel": [ { "@language": "nl", "@value": "koolmonoxide" }, { "@language": "nl", "@value": "koolstofmonoxide (CO)" } ], "dbo:inchi": "InChI=1S/CO/c1-2", "dbo:iupacName": { "@language": "en", "@value": "carbon monoxide" }, "dbo:smiles": "[C-]#[O+]" }, { "@id": "csc:KZWPFFFDRDASOU-UHFFFAOYSA-N", "dbo:formula": "C15H20Cl2O4", "dbo:smiles": "CCCCOCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4-D propyleen glycol butyl ether ester" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C15H20Cl2O4/c1-2-3-7-19-8-4-9-20-15(18)11-21-14-6-5-12(16)10-13(14)17/h5-6,10H,2-4,7-9,11H2,1H3", "dbp:inchikey": "KZWPFFFDRDASOU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:15997" }, "dbo:casNumber": [ "1928-45-6", "1320-18-9" ], "dbo:iupacName": { "@language": "en", "@value": "3-butoxypropyl 2-(2,4-dichlorophenoxy)acetate" }, "skos:broader": { "@id": "csc:CHEMONTID_0000417" }, "skos:altLabel": { "@language": "nl", "@value": "2,4-d propyleen glycol butyl ether ester" }, "dbo:pubchem": { "@value": "15997", "@type": "xsd:int" }, "skos:notation": "24DC3yegC4yE" }, { "@id": "csc:AOJJSUZBOXZQNB-TZSSRYMLSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C27H29NO11", "dbo:casNumber": [ "24385-08-8", "25311-50-6", "29042-30-6", "23257-17-2", "23214-92-8" ], "dbo:iupacName": { "@language": "en", "@value": "(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione" }, "dbp:inchikey": "AOJJSUZBOXZQNB-TZSSRYMLSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002106" }, "dbo:inchi": 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"skos:Concept" ], "dbp:inchikey": "VUTHWSUXEOILTN-UHFFFAOYSA-N", "dbo:smiles": "CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)(=O)C", "dbo:casNumber": "14086-35-2", "skos:notation": "fentoOosfn", "dbo:formula": "C10H15O6PS", "rdfs:seeAlso": { "@id": "compound:26449" }, "skos:prefLabel": { "@language": "nl", "@value": "fenthion-oxon-sulfon" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:BACHBFVBHLGWSL-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" }, "dbp:inchikey": "BACHBFVBHLGWSL-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004155" }, "dbo:inchi": "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "51338-27-3", "51142-56-4", "75045-48-6" ], "dbo:pubchem": { "@value": "39985", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "diclofop-methyl" }, "dbo:formula": "C16H14Cl2O4", "rdfs:seeAlso": { "@id": "compound:39985" }, "skos:notation": "DcfC1y", "dbo:smiles": "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" }, { "@id": "csc:GVJHHUAWPYXKBD-IEOSBIPESA-N", "dbo:casNumber": [ "11105-14-9", "181591-70-8", "25094-97-7", "16826-11-2", "1406-18-4", "59-02-9", "4072-33-7", "10191-41-0" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:altLabel": { "@language": "nl", "@value": "alfa-tocoferol (Vitamine E)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "14985", "@type": "xsd:int" }, "skos:notation": "atcfrl", "dbo:inchi": "InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1", "dbp:inchikey": "GVJHHUAWPYXKBD-IEOSBIPESA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000201" }, "rdfs:seeAlso": { "@id": "compound:14985" }, "dbo:formula": "C29H50O2", "skos:prefLabel": { "@language": "nl", "@value": "alfa-tocoferol (vitamine e)" }, "dbo:smiles": "CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C", "dbo:iupacName": { "@language": "en", "@value": "(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL" } }, { "@id": "csc:QYPNKSZPJQQLRK-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "tebufenozide" }, "skos:broader": { "@id": "csc:CHEMONTID_0000176" }, "dbo:formula": "C22H28N2O2", "dbo:casNumber": [ "112410-23-8", "142583-69-5" ], "dbp:inchikey": "QYPNKSZPJQQLRK-UHFFFAOYSA-N", "dbo:smiles": "CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C", "dbo:pubchem": { "@value": "91773", "@type": "xsd:int" }, "skos:notation": "tebfnzde", "rdfs:seeAlso": { "@id": "compound:91773" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" }, "dbo:inchi": "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" }, { "@id": "csc:HUKPVYBUJRAUAG-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6697" }, "dbo:smiles": "C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O", "dbo:casNumber": [ "116495-96-6", "57608-35-2", "82-05-3" ], "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "skos:prefLabel": { "@language": "nl", "@value": "benzanthron" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "Benztn", "dbo:pubchem": { "@value": "6697", "@type": "xsd:int" }, "dbo:formula": "C17H10O", "dbo:iupacName": { "@language": "en", "@value": "benzo[a]phenalen-7-one" }, "dbo:inchi": "InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "HUKPVYBUJRAUAG-UHFFFAOYSA-N" }, { "@id": "csc:OJOWICOBYCXEKR-KRXBUXKQSA-N", "dbo:pubchem": { "@value": "5365543", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "62181-74-2", "59006-74-5", "16219-75-3" ], "rdfs:seeAlso": { "@id": "compound:5365543" }, "dbo:formula": "C9H12", "dbo:smiles": "CC=C1CC2CC1C=C2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "OJOWICOBYCXEKR-KRXBUXKQSA-N", "dbo:iupacName": { "@language": "en", "@value": "['(5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene', '5-ethylidenebicyclo[2.2.1]hept-2-ene']" }, "skos:prefLabel": { "@language": "nl", "@value": "5-ethylideen-2-norborneen" }, "skos:broader": { "@id": "csc:CHEMONTID_0004622" }, "skos:notation": "5C2yid2nbnn" }, { "@id": "csc:UBUCNCOMADRQHX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "N,N-di(phenyl)nitrous amide" }, "dbp:inchikey": "UBUCNCOMADRQHX-UHFFFAOYSA-N", "skos:notation": "DFyNOAe", "rdfs:seeAlso": { "@id": "compound:6838" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "difenylnitrosamine" }, "dbo:smiles": "C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O", "dbo:pubchem": { "@value": "6838", "@type": "xsd:int" }, "dbo:formula": "C12H10N2O", "dbo:casNumber": "86-30-6", "skos:broader": { "@id": "csc:CHEMONTID_0000113" }, "dbo:inchi": "InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" }, { "@id": "csc:DUEPRVBVGDRKAG-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "2566", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "carbfrn", "dbo:iupacName": { "@language": "en", "@value": "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" }, "dbo:smiles": "CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C", "dbp:inchikey": "DUEPRVBVGDRKAG-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "carbofuran" }, "skos:broader": { "@id": "csc:CHEMONTID_0004189" }, "rdfs:seeAlso": { "@id": "compound:2566" }, "dbo:casNumber": "1563-66-2", "dbo:formula": "C12H15NO3" }, { "@id": "csc:VLKZOEOYAKHREP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "VLKZOEOYAKHREP-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "hexaan" }, "dbo:casNumber": [ "8031-34-3", "110-54-3", "92112-69-1", "68476-44-8" ], "skos:altLabel": { "@language": "nl", "@value": "n-hexaan" }, "skos:notation": "C6a", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C6H14", "dbo:pubchem": { "@value": "8058", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "dbo:inchi": 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"skos:broader": { "@id": "csc:CHEMONTID_0001880" } }, { "@id": "csc:IZEKFCXSFNUWAM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:3108" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0003901" }, "dbo:inchi": "InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Dpyrdml", "dbp:inchikey": "IZEKFCXSFNUWAM-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "dipyramidol" }, "skos:prefLabel": { "@language": "nl", "@value": "dipyridamol" }, "dbo:casNumber": "58-32-2", "dbo:smiles": "C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO", "dbo:pubchem": { "@value": "3108", "@type": "xsd:int" }, "dbo:formula": "C24H40N8O4", "dbo:iupacName": { "@language": "en", "@value": "2-[[2-(bis(2-hydroxyethyl)amino)-4,8-di(piperidin-1-yl)pyrimido[6,5-e]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol" } }, { "@id": "csc:QQQYTWIFVNKMRW-UHFFFAOYSA-N", "skos:notation": "Dfbzrn", "dbo:casNumber": [ "35367-38-5", "66594-18-1", "51026-04-1", "104790-81-0", "53026-03-2" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F", "skos:prefLabel": { "@language": "nl", "@value": "diflubenzuron" }, "dbo:formula": "C14H9ClF2N2O2", "skos:broader": { "@id": "csc:CHEMONTID_0004513" }, "dbo:pubchem": { "@value": "37123", "@type": "xsd:int" }, "dbp:inchikey": "QQQYTWIFVNKMRW-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" }, "rdfs:seeAlso": { "@id": "compound:37123" }, "dbo:inchi": "InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" }, { "@id": "csc:IUZFQERQUZLNKQ-UHFFFAOYSA-N", "dbo:formula": "C30H23BrO4", "dbo:iupacName": { "@language": "en", "@value": "3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-2-hydroxychromen-4-one" }, "dbo:smiles": "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(OC5=CC=CC=C5C4=O)O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "28772-56-7", "skos:notation": "bromdoln", "rdfs:seeAlso": { "@id": "compound:34322" }, "dbo:inchi": "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32,34H,18H2", "dbo:pubchem": { "@value": "34322", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "bromadiolon" }, "skos:broader": { "@id": "csc:CHEMONTID_0002651" }, 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}, "dbp:inchikey": "UNFUYWDGSFDHCW-UHFFFAOYSA-N", "skos:notation": "ClccC6a", "dbo:casNumber": "542-18-7", "dbo:iupacName": { "@language": "en", "@value": "Chlorocyclohexane" }, "rdfs:seeAlso": { "@id": "compound:10952" }, "skos:prefLabel": { "@language": "nl", "@value": "chloorcyclohexaan" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1CCC(CC1)Cl", "dbo:formula": "C6H11Cl" }, { "@id": "csc:RAOIDOHSFRTOEL-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C1CCSC1", "skos:broader": { "@id": "csc:CHEMONTID_0000233" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Thiolane" }, "rdfs:seeAlso": { "@id": "compound:1127" }, "dbp:inchikey": "RAOIDOHSFRTOEL-UHFFFAOYSA-N", "dbo:formula": "C4H8S", "dbo:casNumber": "110-01-0", "dbo:pubchem": { "@value": "1127", "@type": "xsd:int" }, "skos:notation": "T4Htofn", "skos:prefLabel": { "@language": "nl", "@value": 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{ "@language": "nl", "@value": "4-methyl-2-pentanon" }, "skos:notation": "4C1y2C5on", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:iupacName": { "@language": "en", "@value": "4-Methylpentan-2-one" }, "rdfs:seeAlso": { "@id": "compound:7909" }, "dbp:inchikey": "NTIZESTWPVYFNL-UHFFFAOYSA-N", "dbo:casNumber": "108-10-1", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "7909", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000118" }, "skos:altLabel": [ { "@language": "nl", "@value": "4-methyl-2-pentanon (MIBK)" }, { "@language": "nl", "@value": "4-methyl-2-pentanon (mibk)" } ], "dbo:inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3", "dbo:formula": "C6H12O", "dbo:smiles": "CC(C)CC(=O)C" }, { "@id": "csc:JHWNWJKBPDFINM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:13690" }, "dbo:casNumber": [ "70099-82-0", "115296-77-0", "148308-40-1", "161865-23-2", "125081-69-8", "115296-76-9", 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}, "skos:notation": "C4ol", "rdfs:seeAlso": { "@id": "compound:263" }, "dbp:inchikey": "LRHPLDYGYMQRHN-UHFFFAOYSA-N", "dbo:formula": "C4H10O", "skos:prefLabel": { "@language": "nl", "@value": "butanol" }, "dbo:smiles": "CCCCO", "dbo:inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000286" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'alkylalcohol'" } }, { "@id": "csc:LFSAPCRASZRSKS-UHFFFAOYSA-N", "dbo:smiles": "CC1CCCCC1=O", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2-methylcyclohexan-1-one" }, "rdfs:seeAlso": { "@id": "compound:11419" }, "dbo:formula": "C7H12O", "dbo:pubchem": { "@value": "11419", "@type": "xsd:int" }, "dbo:casNumber": [ "24965-84-2", "583-60-8" ], "skos:prefLabel": { "@language": "nl", "@value": "2-methylcyclohexanon" }, "skos:broader": { "@id": 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"skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)", "dbo:smiles": "C=CC(=O)O", "skos:broader": { "@id": "csc:CHEMONTID_0004451" }, "skos:altLabel": [ { "@language": "nl", "@value": "2-propeenzuur" }, { "@language": "nl", "@value": "acrylzuur" } ], "dbo:pubchem": { "@value": "6581", "@type": "xsd:int" }, "skos:notation": "2C3ezr", "dbp:inchikey": "NIXOWILDQLNWCW-UHFFFAOYSA-N" }, { "@id": "csc:KRHYYFGTRYWZRS-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "waterstoffluoride (hf)" }, { "@language": "nl", "@value": "waterstoffluoride (HF)" } ], "skos:broader": { "@id": "csc:CHEMONTID_0000548" }, "dbo:pubchem": { "@value": "14917", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "['Hydrogen fluoride', 'hydron fluoride']" }, "dbo:formula": "FH", "dbo:smiles": "F", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:14917" }, 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"@language": "nl", "@value": "methylformaat" } ], "dbo:formula": "C2H4O2", "dbo:pubchem": { "@value": "7865", "@type": "xsd:int" } }, { "@id": "csc:DIOQZVSQGTUSAI-UHFFFAOYSA-N", "dbo:smiles": "CCCCCCCCCC", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "decaan" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "DIOQZVSQGTUSAI-UHFFFAOYSA-N", "dbo:casNumber": [ "63335-87-5", "124-18-5", "73138-29-1" ], "skos:notation": "C10a", "skos:prefLabel": { "@language": "nl", "@value": "n-decaan" }, "dbo:pubchem": { "@value": "15600", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'" }, "dbo:formula": "C10H22", "rdfs:seeAlso": { "@id": "compound:15600" }, "dbo:inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3", "dbo:iupacName": { "@language": "en", "@value": "Decane" } }, { "@id": "csc:NOWKCMXCCJGMRR-UHFFFAOYSA-N", "dbo:casNumber": [ "96956-24-0", "81210-08-4", "68130-99-4", "9002-98-6", "68130-98-3", "92047-44-4", "69522-69-6", "81210-07-3", "81210-09-5", "39289-19-5", "151-56-4", "145379-92-6", "96956-23-9", "96956-22-8", "66456-64-2", "99932-76-0", "9077-52-5" ], "skos:broader": { "@id": "csc:CHEMONTID_0000103" }, "skos:notation": "C2yeimne", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "ethyleenimine" }, "dbp:inchikey": "NOWKCMXCCJGMRR-UHFFFAOYSA-N", "dbo:formula": "C2H5N", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:pubchem": { "@value": "9033", "@type": "xsd:int" }, "dbo:smiles": "C1CN1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:9033" }, "dbo:inchi": "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2", "dbo:iupacName": { "@language": "en", "@value": "Aziridine" } }, { "@id": 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"skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-Trimethylbenzene" } }, { "@id": "csc:AFFLGGQVNFXPEV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Dec-1-ene" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004476" }, "dbo:casNumber": [ "68037-01-4", "105054-87-3", "872-05-9", "25189-70-2", "108778-38-7" ], "dbo:inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'" }, "dbp:inchikey": "AFFLGGQVNFXPEV-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "13381", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:13381" }, "skos:notation": "1C10e", "skos:prefLabel": { "@language": "nl", "@value": "1-deceen" }, "dbo:formula": "C10H20", "dbo:smiles": "CCCCCCCCC=C" }, { "@id": "csc:UJBOOUHRTQVGRU-UHFFFAOYSA-N", "dbo:casNumber": [ "24965-87-5", "591-24-2", "625-96-7" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C7H12O", "rdfs:seeAlso": { "@id": "compound:11567" }, "dbo:pubchem": { "@value": "11567", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "3-methylcyclohexanon" }, "dbo:inchi": "InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3", "dbo:smiles": "CC1CCCC(=O)C1", "dbo:iupacName": { "@language": "en", "@value": "3-methylcyclohexan-1-one" }, "skos:broader": { "@id": "csc:CHEMONTID_0003487" }, "dbp:inchikey": "UJBOOUHRTQVGRU-UHFFFAOYSA-N" }, { "@id": "csc:VVQNEPGJFQJSBK-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:notation": "C1ymtclt", "skos:prefLabel": { "@language": "nl", "@value": "methylmethacrylaat" }, 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"@value": "VLAR II bijl. 4.4.2" }, "dbo:casNumber": "123-42-2", "skos:prefLabel": { "@language": "nl", "@value": "4-hydroxy-4-methyl-2-pentanon" }, "dbo:smiles": "CC(=O)CC(C)(C)O", "dbo:inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3", "skos:broader": { "@id": "csc:CHEMONTID_0002913" }, "rdfs:seeAlso": { "@id": "compound:31256" } }, { "@id": "csc:ZWEHNKRNPOVVGH-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6569", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "butan-2-one" }, "skos:notation": "2C4on", "dbo:smiles": "CCC(=O)C", "dbo:formula": "C4H8O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2-butanon" }, "dbo:casNumber": [ "78-93-3", "135311-02-3" ], "dbp:inchikey": "ZWEHNKRNPOVVGH-UHFFFAOYSA-N", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'butanon'" }, "skos:altLabel": { "@language": "nl", 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"dbo:pubchem": { "@value": "176", "@type": "xsd:int" } }, { "@id": "csc:DURPTKYDGMDSBL-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3", "dbo:smiles": "CCCCOCCCC", "dbo:formula": "C8H18O", "dbo:casNumber": "142-96-1", "skos:prefLabel": { "@language": "nl", "@value": "di-n-butylether" }, "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "DURPTKYDGMDSBL-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "8909", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:8909" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'dibutylether'" }, "dbo:iupacName": { "@language": "en", "@value": "1-Butoxybutane" } }, { "@id": "csc:QEHKBHWEUPXBCW-UHFFFAOYSA-N", "dbp:inchikey": "QEHKBHWEUPXBCW-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "stikstoftrichloride" }, "rdfs:seeAlso": { "@id": "compound:61437" }, "dbo:casNumber": "10025-85-1", "dbo:iupacName": { "@language": "en", "@value": "trichloroamine" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "61437", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/Cl3N/c1-4(2)3", "dbo:smiles": "N(Cl)(Cl)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0000549" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "trichlooramine" }, "dbo:formula": "Cl3N", "skos:notation": "NTCl" }, { "@id": "csc:SFZCNBIFKDRMGX-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/F6S/c1-7(2,3,4,5)6", "dbo:casNumber": [ "59109-69-2", "29267-82-1", "2551-62-4", "36575-03-8" ], "skos:broader": { "@id": "csc:CHEMONTID_0000437" }, "dbo:formula": "F6S", "rdfs:comment": { "@language": "nl", "@value": "VLAR II (D1, definities broeikasgassen)" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "hexafluoro-lambda6-sulfane" }, "dbp:inchikey": "SFZCNBIFKDRMGX-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "zwavelhexafluoride" }, { "@language": "nl", "@value": "zwavelhexafluoride (sf6)" } ], "rdfs:seeAlso": { "@id": "compound:17358" }, "dbo:smiles": "FS(F)(F)(F)(F)F", "skos:prefLabel": { "@language": "nl", "@value": "zwavelhexafluoride (SF6)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "SF6", "dbo:pubchem": { "@value": "17358", "@type": "xsd:int" } }, { "@id": "csc:BAPJBEWLBFYGME-UHFFFAOYSA-N", "dbo:casNumber": [ "102256-29-1", "96-33-3" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3", "skos:notation": "C1yaclt", "dbo:smiles": "COC(=O)C=C", "dbo:formula": "C4H6O2", "dbo:iupacName": { "@language": "en", "@value": "methyl prop-2-enoate" }, "rdfs:seeAlso": { "@id": "compound:7294" }, "skos:broader": { "@id": "csc:CHEMONTID_0004452" }, 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"@id": "csc:VEXZGXHMUGYJMC-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:313" }, "skos:broader": { "@id": "csc:CHEMONTID_0000548" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II (D5, diverse art) 'HCl'" }, { "@language": "nl", "@value": "VLAR III (D3) 'waterstofchloride (HCl)'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.1 'chloorwaterstof'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'HCl'" } ], "skos:altLabel": { "@language": "nl", "@value": "zoutzuur" }, "dbo:pubchem": { "@value": "313", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "218625-68-4", "61674-62-2", "51005-19-7", "113962-65-5", "7647-01-0" ], "dbo:formula": "ClH", "dbo:iupacName": { "@language": "en", "@value": "['hydrogen chloride', 'hydron chloride']" }, "dbp:inchikey": "VEXZGXHMUGYJMC-UHFFFAOYSA-N", "skos:notation": "HCl", "skos:prefLabel": { "@language": "nl", "@value": "waterstofchloride" }, "dbo:smiles": "Cl", "dbo:inchi": "InChI=1S/ClH/h1H" }, { "@id": "csc:QAOWNCQODCNURD-UHFFFAOYSA-N", "dbo:formula": "H2O4S", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'zwavelzuur'" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'" } ], "dbo:casNumber": [ "127529-01-5", "119540-51-1", "140623-70-7", "12772-98-4", "7664-93-9", "13537-15-0" ], "rdfs:seeAlso": { "@id": "compound:1118" }, "dbp:inchikey": "QAOWNCQODCNURD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "OS(=O)(=O)O", "dbo:iupacName": { "@language": "en", "@value": "Sulfuric acid" }, "skos:notation": "H2SO4", "skos:altLabel": { "@language": "nl", "@value": "zwavelzuur (H2SO4)" }, "dbo:inchi": "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "1118", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "zwavelzuur" }, "skos:broader": { "@id": "csc:CHEMONTID_0001077" } }, { "@id": "csc:CSCPPACGZOOCGX-UHFFFAOYSA-N", "dbp:inchikey": "CSCPPACGZOOCGX-UHFFFAOYSA-N", "skos:notation": "actn", "dbo:smiles": "CC(=O)C", "dbo:iupacName": { "@language": "en", "@value": "propan-2-one" }, "dbo:pubchem": { "@value": "180", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "aceton" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": "67-64-1", "dbo:formula": "C3H6O", "skos:broader": { "@id": "csc:CHEMONTID_0000118" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:180" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" }, { "@id": "csc:BTANRVKWQNVYAZ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", 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"@language": "nl", "@value": "nonaan" }, "rdfs:seeAlso": { "@id": "compound:8141" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C9H20", "dbo:casNumber": [ "111-84-2", "61193-19-9" ], "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "skos:prefLabel": { "@language": "nl", "@value": "n-nonaan" }, "dbo:pubchem": { "@value": "8141", "@type": "xsd:int" }, "dbp:inchikey": "BKIMMITUMNQMOS-UHFFFAOYSA-N" }, { "@id": "csc:XYFCBTPGUUZFHI-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'fosforwaterstof'" }, { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" } ], "skos:altLabel": { "@language": "nl", "@value": "fosforwaterstof of fosfine of fosfaan?" }, "dbo:casNumber": [ "167076-44-0", "29879-37-6", "7803-51-2" ], "dbo:inchi": "InChI=1S/H3P/h1H3", "dbp:inchikey": "XYFCBTPGUUZFHI-UHFFFAOYSA-N", "skos:broader": { 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}, "skos:prefLabel": { "@language": "nl", "@value": "t-butylacetaat" }, "skos:notation": "ttC4yactt", "dbo:pubchem": { "@value": "10908", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:10908" }, "dbp:inchikey": "WMOVHXAZOJBABW-UHFFFAOYSA-N" }, { "@id": "csc:ZXEKIIBDNHEJCQ-UHFFFAOYSA-N", "dbo:smiles": "CC(C)CO", "dbo:casNumber": [ "78-83-1", "68989-27-5" ], "dbo:formula": "C4H10O", "skos:broader": { "@id": "csc:CHEMONTID_0000286" }, "dbo:inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3", "skos:altLabel": { "@language": "nl", "@value": "2-methylpropanol (iso-butanol)" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "2C1yC3ol", "rdfs:seeAlso": { "@id": "compound:6560" }, "dbo:iupacName": { "@language": "en", "@value": "2-Methylpropan-1-ol" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'alkylalcohol'" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6560", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "isobutanol" }, "dbp:inchikey": "ZXEKIIBDNHEJCQ-UHFFFAOYSA-N" }, { "@id": "csc:RNVCVTLRINQCPJ-UHFFFAOYSA-N", "dbo:formula": "C7H9N", "dbo:pubchem": { "@value": "7242", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "RNVCVTLRINQCPJ-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "o-toluïdine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "95-53-4", "dbo:inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3", "rdfs:seeAlso": { "@id": "compound:7242" }, "skos:notation": "2C1yAn", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:iupacName": { "@language": "en", "@value": "2-Methylaniline" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methylaniline" }, "dbo:smiles": "CC1=CC=CC=C1N", "skos:broader": { "@id": "csc:CHEMONTID_0003964" } }, { "@id": "csc:RTZKZFJDLAIYFH-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3", "skos:altLabel": { "@language": "nl", "@value": "diethylether" }, "dbp:inchikey": "RTZKZFJDLAIYFH-UHFFFAOYSA-N", "dbo:casNumber": [ "60-29-7", "68991-48-0", "71011-10-4", "7578-39-4", "74446-43-8", "69227-20-9", "69013-19-0", "70131-58-7" ], "dbo:pubchem": { "@value": "3283", "@type": "xsd:int" }, "dbo:formula": "C4H10O", "rdfs:seeAlso": { "@id": "compound:3283" }, "skos:notation": "DC2yEtr", "skos:prefLabel": { "@language": "nl", "@value": "di-ethylether" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:iupacName": { "@language": "en", "@value": "Ethoxyethane" }, "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbo:smiles": "CCOCC", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:KAKZBPTYRLMSJV-UHFFFAOYSA-N", "skos:notation": "13butDen", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:pubchem": { "@value": "7845", "@type": "xsd:int" }, "dbo:casNumber": [ "25339-57-5", "130983-70-9", "68441-48-5", "68514-37-4", "106-99-0" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "KAKZBPTYRLMSJV-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2", "dbo:iupacName": { "@language": "en", "@value": "Buta-1,3-diene" }, "skos:prefLabel": { "@language": "nl", "@value": "1,3-butadieen" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0001019" }, "rdfs:seeAlso": { "@id": "compound:7845" }, "dbo:formula": "C4H6", "dbo:smiles": "C=CC=C" }, { "@id": "csc:QPJVMBTYPHYUOC-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbo:inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3", "dbo:smiles": "COC(=O)C1=CC=CC=C1", "dbo:formula": "C8H8O2", "rdfs:seeAlso": { "@id": "compound:7150" }, "dbo:casNumber": "93-58-3", "dbo:iupacName": { "@language": "en", "@value": "Methyl benzoate" }, "dbp:inchikey": "QPJVMBTYPHYUOC-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "methylbenzoaat" }, "dbo:pubchem": { "@value": "7150", "@type": "xsd:int" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:XYLMUPLGERFSHI-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7407", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000045" }, "skos:prefLabel": { "@language": "nl", "@value": "isopropenylbenzeen (alfa-methylstyreen)" }, "rdfs:seeAlso": { "@id": "compound:7407" }, "dbo:casNumber": [ "98-83-9", "25014-31-7", "42612-14-6" ], "skos:altLabel": { "@language": "nl", "@value": "alfa-methylstyreen" }, "skos:notation": "aC1ysrn", "dbo:formula": "C9H10", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "XYLMUPLGERFSHI-UHFFFAOYSA-N", "dbo:smiles": "CC(=C)C1=CC=CC=C1", "dbo:iupacName": { "@language": "en", "@value": "prop-1-en-2-ylbenzene" }, "dbo:inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" } }, { "@id": "csc:OFBQJSOFQDEBGM-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Pentane" }, "dbp:inchikey": "OFBQJSOFQDEBGM-UHFFFAOYSA-N", "dbo:casNumber": [ "102056-77-9", "68476-55-1", "68475-60-5", "109-66-0", "68476-43-7", "8031-35-4", "68647-60-9" ], "skos:prefLabel": { "@language": "nl", "@value": "n-pentaan" }, "rdfs:seeAlso": { "@id": "compound:8003" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'" }, "skos:notation": "C5a", "dbo:pubchem": { "@value": "8003", "@type": "xsd:int" }, "dbo:formula": "C5H12", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "pentaan" }, "dbo:smiles": "CCCCC", "skos:broader": { "@id": "csc:CHEMONTID_0002500" } }, { "@id": "csc:BDERNNFJNOPAEC-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "Propan-1-ol" }, "dbo:pubchem": { "@value": "1031", "@type": "xsd:int" }, "dbp:inchikey": "BDERNNFJNOPAEC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C3H8O", "dbo:smiles": "CCCO", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'alkylalcohol'" }, "dbo:casNumber": [ "71-23-8", "62309-51-7" ], "rdfs:seeAlso": { "@id": "compound:1031" }, "skos:broader": { "@id": "csc:CHEMONTID_0000286" }, "skos:altLabel": { "@language": "nl", "@value": "propanol" }, "skos:prefLabel": { "@language": "nl", "@value": "n-propanol" }, "skos:notation": "C3ol" }, { "@id": "csc:CURLTUGMZLYLDI-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "carbon dioxide" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, Art. 3.6.2.6.1) (CO2-gehalte'" }, { "@language": "nl", "@value": "VLAR II (D1, definities)" } ], "skos:notation": "CO2", "skos:altLabel": { "@language": "nl", "@value": "koolstofdioxide (CO2)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(=O)=O", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "CURLTUGMZLYLDI-UHFFFAOYSA-N", "dbo:casNumber": [ "124-38-9", "34496-91-8", "85540-96-1", "12181-60-1", "18923-20-1", "122427-25-2", "39310-68-4" ], "rdfs:seeAlso": { "@id": "compound:280" }, "dbo:formula": "CO2", "dbo:pubchem": { "@value": "280", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "koolstofdioxide" }, "dbo:inchi": "InChI=1S/CO2/c2-1-3", "skos:broader": { "@id": "csc:CHEMONTID_0000554" } }, { "@id": "csc:IKHGUXGNUITLKF-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "acetaldehyde" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "C2al", "skos:altLabel": [ { "@language": "nl", "@value": "acetaldehyde " }, { "@language": "nl", "@value": "ethanal" } ], "dbo:casNumber": "75-07-0", "rdfs:seeAlso": { "@id": "compound:177" }, "dbo:pubchem": { "@value": "177", "@type": "xsd:int" }, "dbo:formula": "C2H4O", "dbo:iupacName": { "@language": "en", "@value": "acetaldehyde" }, "dbo:inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3", "dbo:smiles": "CC=O", "dbp:inchikey": "IKHGUXGNUITLKF-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002230" } }, { "@id": "csc:ZMXDDKWLCZADIW-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "68-12-2", "33513-42-7", "114057-15-7", "15175-63-0", "15175-77-6" ], "dbo:formula": "C3H7NO", "dbo:inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3", "skos:notation": "DC1yfAd", "skos:prefLabel": { "@language": "nl", "@value": "dimethylformamide" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 N, N-dimethylformamide" }, "skos:broader": { "@id": "csc:CHEMONTID_0001664" }, "dbo:smiles": "CN(C)C=O", "rdfs:seeAlso": { "@id": "compound:6228" }, "dbo:iupacName": { "@language": "en", "@value": "N,N-Dimethylformamide" }, "dbp:inchikey": "ZMXDDKWLCZADIW-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6228", "@type": "xsd:int" } }, { "@id": "csc:GQPLMRYTRLFLPF-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "distikstofoxide (n2o)" }, "dbo:casNumber": [ "129451-49-6", "126386-65-0", "10024-97-2", "147527-07-9", "175876-44-5", "130835-71-1" ], "dbo:inchi": "InChI=1S/N2O/c1-2-3", "rdfs:seeAlso": { "@id": "compound:948" }, "dbo:pubchem": { "@value": "948", "@type": "xsd:int" }, "skos:altLabel": [ { "@language": "nl", "@value": "distikstofoxide (lachgas)" }, { "@language": "nl", "@value": "distikstofoxide (N2O)" } ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'N2O'" }, { "@language": "nl", "@value": "VLAR II (D1, definities broeikasgassen)" } ], "dbo:formula": "N2O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "N2O", "dbo:smiles": "[N-]=[N+]=O", "skos:broader": { "@id": "csc:CHEMONTID_0000553" }, "dbo:iupacName": { "@language": "en", "@value": "nitrous oxide" }, "dbp:inchikey": "GQPLMRYTRLFLPF-UHFFFAOYSA-N" }, { "@id": "csc:AKEJUJNQAAGONA-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II Art. 5.7.3.1 'zwaveltrioxide'" }, { "@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, diverse art) 'SO3'" } ], "dbo:iupacName": { "@language": "en", "@value": "SULFUR TRIOXIDE" }, "dbo:casNumber": [ "12210-38-7", "7446-11-9" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "zwaveltrioxide" }, "dbo:pubchem": { "@value": "24682", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/O3S/c1-4(2)3", "dbp:inchikey": "AKEJUJNQAAGONA-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000554" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "O3S", "skos:notation": "SO3", "rdfs:seeAlso": { "@id": "compound:24682" }, "dbo:smiles": "O=S(=O)=O" }, { "@id": "csc:DKPFZGUDAPQIHT-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", "dbo:pubchem": { "@value": "31272", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Butyl acetate" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "skos:altLabel": { "@language": "nl", "@value": "butylacetaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0001238" }, "dbo:casNumber": "123-86-4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C6H12O2", "rdfs:seeAlso": { "@id": "compound:31272" }, "dbp:inchikey": "DKPFZGUDAPQIHT-UHFFFAOYSA-N", "dbo:smiles": "CCCCOC(=O)C", "skos:notation": "C4yactt", "skos:prefLabel": { "@language": "nl", "@value": "n-butylacetaat" } }, { "@id": "csc:GOOHAUXETOMSMM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6378" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C3H6O", "dbo:smiles": "CC1CO1", "dbp:inchikey": "GOOHAUXETOMSMM-UHFFFAOYSA-N", "dbo:casNumber": [ "16033-71-9", "75-56-9" ], "dbo:inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3", "dbo:pubchem": { "@value": "6378", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2-epoxypropaan" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-methyloxirane" }, "skos:notation": "C3yeO", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:broader": { "@id": "csc:CHEMONTID_0000159" }, "skos:altLabel": { "@language": "nl", "@value": "propyleenoxide" } }, { "@id": "csc:HYBBIBNJHNGZAN-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0003213" }, "dbo:formula": "C5H4O2", "dbo:iupacName": { "@language": "en", "@value": "furan-2-carbaldehyde" }, "dbp:inchikey": "HYBBIBNJHNGZAN-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "furfural" }, "rdfs:seeAlso": { "@id": "compound:7362" }, "dbo:casNumber": "98-01-1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": [ { "@language": "nl", "@value": "2-furaldehyde " }, { "@language": "nl", "@value": "2-furaldehyde" } ], "skos:notation": "furfrl", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:pubchem": { "@value": "7362", "@type": "xsd:int" }, "dbo:smiles": "C1=COC(=C1)C=O" }, { "@id": "csc:JBIJLHTVPXGSAM-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C2C=C(C=CC2=C1)N", "dbo:inchi": "InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "naphthalen-2-amine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "dbo:formula": "C10H9N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "JBIJLHTVPXGSAM-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7057", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "2-aminonaftaleen" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:notation": "2AoNaf", "rdfs:seeAlso": { "@id": "compound:7057" }, "dbo:casNumber": "91-59-8", "skos:prefLabel": { "@language": "nl", "@value": "2-naftylamine" } }, { "@id": "csc:DVKJHBMWWAPEIU-UHFFFAOYSA-N", "dbo:casNumber": [ "59539-76-3", "1321-38-6", "584-84-9", "26471-62-5", "86-91-9", "26006-20-2" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:iupacName": { "@language": "en", "@value": "2,4-Diisocyanato-1-methylbenzene" }, "dbp:inchikey": "DVKJHBMWWAPEIU-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2,4-tolueendi-isocyanaat " }, "dbo:smiles": "CC1=C(C=C(C=C1)N=C=O)N=C=O", "dbo:formula": "C9H6N2O2", "skos:altLabel": [ { "@language": "nl", "@value": "2,4-tolueendi-isocyanaat" }, { "@language": "nl", "@value": "2,4-tolueendiisocyanaat" } ], "dbo:pubchem": { "@value": "11443", "@type": "xsd:int" }, "rdfs:seeAlso": { 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"@language": "nl", "@value": "ethyleenglycol " }, { "@language": "nl", "@value": "glycol (monoethyleenglycol)" }, { "@language": "nl", "@value": "ethyleenglycol" } ], "rdfs:seeAlso": { "@id": "compound:174" }, "dbo:casNumber": [ "107-21-1", "71767-64-1", "2219-51-4", "25322-68-3", "37225-26-6", "37221-95-7" ], "dbo:formula": "C2H6O2", "skos:broader": { "@id": "csc:CHEMONTID_0002467" }, "dbo:iupacName": { "@language": "en", "@value": "Ethane-1,2-diol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "polyethyleenglycol" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:smiles": "C(CO)O", "dbo:pubchem": { "@value": "174", "@type": "xsd:int" }, "skos:notation": "glycl", "dbp:inchikey": "LYCAIKOWRPUZTN-UHFFFAOYSA-N" }, { "@id": "csc:POAOYUHQDCAZBD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:8133" }, "dbo:casNumber": [ "9004-77-7", "111-76-2" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C6H14O2", "skos:notation": "2C4oxC2ol", "dbo:inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3", "dbp:inchikey": "POAOYUHQDCAZBD-UHFFFAOYSA-N", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbo:pubchem": { "@value": "8133", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-Butoxyethanol" }, "skos:prefLabel": { "@language": "nl", "@value": "2-butoxyethanol" }, "dbo:smiles": "CCCCOCCO" }, { "@id": "csc:ZAFNJMIOTHYJRJ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbo:casNumber": "108-20-3", "dbo:formula": "C6H14O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "diisopropylether" }, "dbp:inchikey": "ZAFNJMIOTHYJRJ-UHFFFAOYSA-N", "dbo:smiles": "CC(C)OC(C)C", "skos:notation": "DiC3yEtr", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:pubchem": { "@value": "7914", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-propan-2-yloxypropane" }, "rdfs:seeAlso": { "@id": "compound:7914" }, "skos:altLabel": { "@language": "nl", "@value": "di-isopropylether" }, "dbo:inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" }, { "@id": "csc:ZTQSAGDEMFDKMZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "261", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:261" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "ZTQSAGDEMFDKMZ-UHFFFAOYSA-N", "dbo:casNumber": "123-72-8", "dbo:smiles": "CCCC=O", "skos:altLabel": { "@language": "nl", "@value": "butyraldehyde" }, "skos:notation": "C4al", "dbo:iupacName": { "@language": "en", "@value": "BUTANAL" }, "dbo:inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3", "skos:broader": { "@id": "csc:CHEMONTID_0002434" }, "dbo:formula": "C4H8O", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:prefLabel": { "@language": "nl", "@value": "butanal" } }, { "@id": "csc:XEKOWRVHYACXOJ-UHFFFAOYSA-N", "dbo:smiles": "CCOC(=O)C", "skos:notation": "C2yactt", "dbo:formula": "C4H8O2", "dbp:inchikey": "XEKOWRVHYACXOJ-UHFFFAOYSA-N", "dbo:casNumber": "141-78-6", "skos:broader": { "@id": "csc:CHEMONTID_0001238" }, "dbo:pubchem": { "@value": "8857", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:iupacName": { "@language": "en", "@value": "Ethyl acetate" }, "dbo:inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3", "skos:prefLabel": { "@language": "nl", "@value": "ethylacetaat" }, "rdfs:seeAlso": { "@id": "compound:8857" } }, { "@id": "csc:BAVYZALUXZFZLV-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Methanamine" }, "dbo:pubchem": { "@value": "6329", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000469" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "CH5N", "dbo:casNumber": [ "74-89-5", "119775-09-6", "85404-17-7", "42939-70-8" ], "skos:prefLabel": { "@language": "nl", "@value": "monomethylamine" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "rdfs:seeAlso": { "@id": "compound:6329" }, "dbp:inchikey": "BAVYZALUXZFZLV-UHFFFAOYSA-N", "dbo:smiles": "CN", "skos:notation": "MC1yAe", "dbo:inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3", "skos:altLabel": [ { "@language": "nl", "@value": "methylamine" }, { "@language": "nl", "@value": "methylamine " } ] }, { "@id": "csc:JCXJVPUVTGWSNB-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "Nitrogen dioxide" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR bijl. 2.5.3. 'NO2'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, { "@language": "nl", "@value": "VLAR II diverse art." } ], "dbo:casNumber": [ "10102-44-0", "66252-28-6", "50443-93-1", "119990-11-3", "56003-83-9", "78246-05-6", "127999-62-6" ], "dbo:pubchem": { "@value": "3032552", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "stikstofdioxide" }, "dbp:inchikey": "JCXJVPUVTGWSNB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:3032552" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "NO2", "skos:broader": { "@id": "csc:CHEMONTID_0000554" }, "dbo:smiles": "N(=O)[O]", "skos:altLabel": { "@language": "nl", "@value": "stikstofdioxide (NO2)" }, "dbo:inchi": "InChI=1S/NO2/c2-1-3" }, { "@id": "csc:YGYAWVDWMABLBF-UHFFFAOYSA-N", "skos:notation": "fosgn", "dbo:casNumber": "75-44-5", "skos:prefLabel": { "@language": "nl", "@value": "fosgeen " }, "dbo:smiles": "C(=O)(Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/CCl2O/c2-1(3)4", "dbo:iupacName": { "@language": "en", "@value": "Carbonyl dichloride" }, "dbo:formula": "CCl2O", "dbp:inchikey": "YGYAWVDWMABLBF-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000550" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:altLabel": { "@language": "nl", "@value": "fosgeen" }, "dbo:pubchem": { "@value": "6371", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:6371" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" } }, { "@id": "csc:LIKMAJRDDDTEIG-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "hex-1-ene" }, "dbo:pubchem": { "@value": "11597", "@type": "xsd:int" }, "dbo:casNumber": [ "153522-12-4", "592-41-6", "33004-04-5", "68783-15-3", "68526-99-8" ], "dbo:inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C6H12", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:11597" }, "skos:broader": { "@id": "csc:CHEMONTID_0004476" }, "dbo:smiles": "CCCCC=C", "skos:prefLabel": { "@language": "nl", "@value": "1-hexeen" }, "dbp:inchikey": "LIKMAJRDDDTEIG-UHFFFAOYSA-N" }, { "@id": "csc:PTTPXKJBFFKCEK-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "rdfs:seeAlso": { "@id": "compound:7958" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2,6-Dimethylheptan-4-one" }, "skos:notation": "26DC1y4C7on", "dbo:casNumber": [ "108-83-8", "68514-40-9" ], "dbo:pubchem": { "@value": "7958", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000118" }, "skos:prefLabel": { "@language": "nl", "@value": "2,6-dimethylheptaan-4-on" }, "dbp:inchikey": "PTTPXKJBFFKCEK-UHFFFAOYSA-N", "dbo:smiles": "CC(C)CC(=O)CC(C)C", "dbo:formula": "C9H18O", "skos:altLabel": { "@language": "nl", "@value": "2,6-dimethyl-4-heptanon" } }, { "@id": "csc:XTXRWKRVRITETP-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "vinylacetaat" }, "dbo:casNumber": [ "108-05-4", "220713-36-0", "85306-26-9", "82041-23-4", "61891-42-7" ], "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:pubchem": { "@value": "7904", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0002354" }, "dbo:smiles": "CC(=O)OC=C", "rdfs:seeAlso": { "@id": "compound:7904" }, "skos:notation": "vinactt", "dbo:formula": "C4H6O2", "dbp:inchikey": "XTXRWKRVRITETP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Ethenyl acetate" }, "dbo:inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" }, { "@id": "csc:KZBUYRJDOAKODT-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/Cl2/c1-2", "dbo:iupacName": { "@language": "en", "@value": "Molecular chlorine" }, "skos:prefLabel": { "@language": "nl", "@value": "dichloor" }, "rdfs:seeAlso": { "@id": "compound:24526" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": "7782-50-5", "skos:broader": { "@id": "csc:CHEMONTID_0000432" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 2.5.1" }, { "@language": "nl", "@value": "VLAR III (D3) 'chloor, uitgedrukt als Cl2'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'chloorgas'" }, { "@language": "nl", "@value": "VLAR III (D3) 'chloorgas'" }, { "@language": "nl", "@value": "VLAR II (D5)" }, { "@language": "nl", "@value": "VLAR III (D3) 'chloorgas, uitgedrukt als Cl2'" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Cl2", "skos:notation": "Cl2", "skos:altLabel": { "@language": "nl", "@value": "chloor" }, "dbo:pubchem": { "@value": "24526", "@type": "xsd:int" }, "dbo:smiles": "ClCl", "dbp:inchikey": "KZBUYRJDOAKODT-UHFFFAOYSA-N" }, { "@id": "csc:KWKAKUADMBZCLK-UHFFFAOYSA-N", "dbo:formula": "C8H16", "dbo:inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CCCCCCC=C", "dbo:casNumber": [ "68526-54-5", "111-66-0", "68527-00-4" ], "skos:prefLabel": { "@language": "nl", "@value": "1-octeen" }, "dbo:iupacName": { "@language": "en", "@value": "oct-1-ene" }, "skos:broader": { "@id": "csc:CHEMONTID_0004476" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'" }, "skos:notation": "1C8e", "rdfs:seeAlso": { "@id": "compound:8125" }, "dbo:pubchem": { "@value": "8125", "@type": "xsd:int" }, "dbp:inchikey": "KWKAKUADMBZCLK-UHFFFAOYSA-N" }, { "@id": "csc:XPFVYQJUAUNWIW-UHFFFAOYSA-N", "dbo:casNumber": [ "98-00-0", "93793-62-5", "25212-86-6", "88161-36-8" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2", "dbp:inchikey": "XPFVYQJUAUNWIW-UHFFFAOYSA-N", "dbo:smiles": "C1=COC(=C1)CO", "skos:notation": "2furC1ol", "skos:prefLabel": { "@language": "nl", "@value": "furfurylalcohol " }, "rdfs:seeAlso": { "@id": "compound:7361" }, "dbo:iupacName": { "@language": "en", "@value": "furan-2-ylmethanol" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 " }, "skos:broader": { "@id": "csc:CHEMONTID_0004144" }, "skos:altLabel": [ { "@language": "nl", "@value": "furfurylalcohol" }, { "@language": "nl", "@value": "2-furaanmethanol" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "7361", "@type": "xsd:int" }, "dbo:formula": "C5H6O2" }, { "@id": "csc:QGJOPFRUJISHPQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:inchi": "InChI=1S/CS2/c2-1-3", "dbo:formula": "CS2", "dbo:casNumber": [ "12539-80-9", "75-15-0", "355120-85-3" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2 'zwavelkoolstof'" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.14.1" } ], "rdfs:seeAlso": { "@id": "compound:6348" }, "skos:prefLabel": { "@language": "nl", "@value": "koolstofdisulfide" }, "skos:broader": { "@id": "csc:CHEMONTID_0000555" }, "dbo:pubchem": { "@value": "6348", "@type": "xsd:int" }, "dbo:smiles": "C(=S)=S", "skos:notation": "CS2", "dbp:inchikey": "QGJOPFRUJISHPQ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "methanedithione" } }, { "@id": "csc:PCSMJKASWLYICJ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002434" }, "dbo:pubchem": { "@value": "12524", "@type": "xsd:int" }, "skos:inScheme": 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"csc:AQXXZDYPVDOQEE-MXDQRGINSA-N", "dbo:smiles": "CN1CCCN=C1C=CC2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "22204-24-6", "122157-48-6" ], "skos:notation": "pyrtpmat", "dbo:formula": "C34H30N2O6S", "rdfs:seeAlso": { "@id": "compound:5281033" }, "dbp:inchikey": "AQXXZDYPVDOQEE-MXDQRGINSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002421" }, "skos:prefLabel": { "@language": "nl", "@value": "pyrantel pamoaat" }, "dbo:inchi": "InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+", "dbo:pubchem": { "@value": "5281033", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "['4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine', '4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine']" } }, { "@id": "csc:MOZDKDIOPSPTBH-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O", "skos:prefLabel": { "@language": "nl", "@value": "benzyl 4-hydroxybenzoaat" }, "dbo:iupacName": { "@language": "en", "@value": "Phenylmethyl 4-hydroxybenzoate" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "7180", "@type": "xsd:int" }, "dbp:inchikey": "MOZDKDIOPSPTBH-UHFFFAOYSA-N", "dbo:casNumber": "94-18-8", "rdfs:seeAlso": { "@id": "compound:7180" }, "skos:broader": { "@id": "csc:CHEMONTID_0004702" }, "skos:notation": "benz4HOxbzat", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C14H12O3", 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"dbo:pubchem": { "@value": "9144", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:9144" }, "dbo:iupacName": { "@language": "en", "@value": "pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene" } }, { "@id": "csc:AIGRXSNSLVJMEA-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004767" }, "dbo:casNumber": [ "65580-80-5", "2104-64-5", "65580-79-2" ], "dbo:inchi": "InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3", "skos:notation": "EPN", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]", "dbo:iupacName": { "@language": "en", "@value": "ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane" }, "dbo:formula": "C14H14NO4PS", "dbp:inchikey": "AIGRXSNSLVJMEA-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "ethyl-p-nitrofenylthiobenzeenfosfonaat" }, "rdfs:seeAlso": { "@id": "compound:16421" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "16421", "@type": "xsd:int" } }, { "@id": "csc:DIRFUJHNVNOBMY-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "DIRFUJHNVNOBMY-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "(2-butan-2-ylphenyl) N-methylcarbamate" }, "dbo:inchi": "InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)", "rdfs:seeAlso": { "@id": "compound:19588" }, "dbo:smiles": "CCC(C)C1=CC=CC=C1OC(=O)NC", "skos:prefLabel": { "@language": "nl", "@value": "fenobucarb" }, "dbo:casNumber": [ "145846-59-9", "12773-35-2", "3766-81-2" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "19588", "@type": "xsd:int" }, "dbo:formula": "C12H17NO2", "skos:notation": "fenbcb", "skos:broader": { "@id": "csc:CHEMONTID_0004640" } }, { "@id": "csc:SDKQRNRRDYRQKY-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "dioxacarb" }, "dbo:casNumber": "6988-21-2", "dbo:pubchem": { "@value": "23421", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:23421" }, "skos:broader": { "@id": "csc:CHEMONTID_0004742" }, "skos:notation": "DOacb", "dbp:inchikey": "SDKQRNRRDYRQKY-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)", "dbo:smiles": "CNC(=O)OC1=CC=CC=C1C2OCCO2", "dbo:iupacName": { "@language": "en", "@value": "[2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate" }, "dbo:formula": "C11H13NO4" }, { "@id": "csc:SEOVTRFCIGRIMH-UHFFFAOYSA-N", "dbo:casNumber": [ "6305-45-9", "87-51-4", "54692-39-6" ], "skos:broader": { "@id": "csc:CHEMONTID_0001252" }, "dbp:inchikey": "SEOVTRFCIGRIMH-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C2C(=C1)C(=CN2)CC(=O)O", "rdfs:seeAlso": { "@id": "compound:802" }, "dbo:iupacName": { "@language": "en", "@value": "2-(1H-indol-3-yl)acetic acid" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C10H9NO2", "skos:notation": "indlHAc", "dbo:inchi": "InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)", "dbo:pubchem": { "@value": "802", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "indolylazijnzuur" } }, { "@id": "csc:DKCPKDPYUFEZCP-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3", "skos:prefLabel": { "@language": "nl", "@value": "2,6-di-tert-butylfenol" }, "dbo:casNumber": [ "128-39-2", "50356-17-7" ], "skos:notation": "26DttC4yFol", "dbo:formula": "C14H22O", "dbo:iupacName": { "@language": "en", "@value": "2,6-ditert-butylphenol" }, "skos:inScheme": { "@id": 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"METHYL 2-METHYLBUTANOATE" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:13357" }, "dbo:formula": "C6H12O2", "skos:broader": { "@id": "csc:CHEMONTID_0000324" }, "skos:notation": "C1y2C1ybtrt", "dbo:inchi": "InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3", "dbo:smiles": "CCC(C)C(=O)OC" }, { "@id": "csc:GZJNBGYLANALSV-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)C(C)(C)C", "dbo:pubchem": { "@value": "17212", "@type": "xsd:int" }, "dbp:inchikey": "GZJNBGYLANALSV-UHFFFAOYSA-N", "dbo:casNumber": "2487-01-6", "skos:notation": "medntactt", "skos:prefLabel": { "@language": "nl", "@value": "medinoterbacetaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0003969" }, "rdfs:seeAlso": { "@id": "compound:17212" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C13H16N2O6", "dbo:inchi": 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"PHENYLHYDRAZINE HYDROCHLORIDE" }, "skos:prefLabel": { "@language": "nl", "@value": "fenylhydrazine" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C6H9ClN2", "dbp:inchikey": "JOVOSQBPPZZESK-UHFFFAOYSA-N", "dbo:casNumber": [ "59-88-1", "27140-08-5", "100-63-0" ], "rdfs:seeAlso": { "@id": "compound:60962" }, "dbo:inchi": "InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H", "dbo:pubchem": { "@value": "60962", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC=C(C=C1)NN.Cl", "skos:broader": { "@id": "csc:CHEMONTID_0000113" } }, { "@id": "csc:GPAPPPVRLPGFEQ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004233" }, "dbo:iupacName": { "@language": "en", "@value": "1-chloro-4-(4-chlorophenyl)sulfonylbenzene" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "85228-26-8", "80-07-9" ], "dbp:inchikey": "GPAPPPVRLPGFEQ-UHFFFAOYSA-N", 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"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)", "skos:prefLabel": { "@language": "nl", "@value": "pentobarbital" }, "skos:broader": { "@id": "csc:CHEMONTID_0000291" }, "dbo:casNumber": "76-74-4", "dbo:formula": "C11H18N2O3" }, { "@id": "csc:WGVWLKXZBUVUAM-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "16826", "@type": "xsd:int" }, "skos:notation": "PenCl", "dbo:formula": "C13H18ClNO", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbp:inchikey": "WGVWLKXZBUVUAM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:16826" }, "dbo:iupacName": { "@language": "en", "@value": "N-(3-Chloro-4-methylphenyl)-2-methylpentanamide" }, "dbo:inchi": "InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "2307-68-8", "skos:prefLabel": { "@language": "nl", "@value": "pentanochloor" } }, { "@id": "csc:VSHTWPWTCXQLQN-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "1126-78-9", "dbo:iupacName": { "@language": "en", "@value": "N-Butylaniline" }, "dbo:smiles": "CCCCNC1=CC=CC=C1", "skos:broader": { "@id": "csc:CHEMONTID_0003924" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "n-butylaniline" }, "dbo:formula": "C10H15N", "dbo:inchi": "InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3", "rdfs:seeAlso": { "@id": "compound:14310" }, "dbo:pubchem": { "@value": "14310", "@type": "xsd:int" }, "dbp:inchikey": "VSHTWPWTCXQLQN-UHFFFAOYSA-N", "skos:notation": "NC4yAn", "skos:altLabel": { "@language": "nl", "@value": "N-butylaniline" } }, { "@id": "csc:HTDJPCNNEPUOOQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10914", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004445" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C6H18O3Si3", "skos:notation": "HxC1yccTslxn", "dbo:casNumber": "541-05-9", "dbp:inchikey": "HTDJPCNNEPUOOQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane" }, "dbo:inchi": "InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3", "skos:prefLabel": { "@language": "nl", "@value": "hexamethylcyclotrisiloxaan" }, "rdfs:seeAlso": { "@id": "compound:10914" }, "dbo:smiles": "C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:JJGYGPZNTOPXGV-SSTWWWIQSA-N", "dbp:inchikey": "JJGYGPZNTOPXGV-SSTWWWIQSA-N", "dbo:pubchem": { "@value": "5462507", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "6-o-monoacetylmorfine" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:5462507" }, "skos:notation": "6oMactmfne", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000058" }, "dbo:inchi": "InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1", "dbo:formula": "C19H21NO4", "dbo:iupacName": { "@language": "en", "@value": "[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate" }, "dbo:smiles": "CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C", "dbo:casNumber": "2784-73-8" }, { "@id": "csc:XMWRBQBLMFGWIX-UHFFFAOYSA-N", "dbp:inchikey": "XMWRBQBLMFGWIX-UHFFFAOYSA-N", "dbo:smiles": "C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23", "dbo:formula": "C60", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", 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"InChI=1S/Fe/q+3", "dbo:smiles": "[Fe+3]", "rdfs:seeAlso": { "@id": "compound:29936" }, "skos:notation": "FeIII", "dbo:iupacName": { "@language": "en", "@value": "iron(+3) cation" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:casNumber": "20074-52-6", "dbo:formula": "Fe+3", "skos:prefLabel": { "@language": "nl", "@value": "ijzer (driewaardig)" }, "dbp:inchikey": "VTLYFUHAOXGGBS-UHFFFAOYSA-N" }, { "@id": "csc:MIZGSAALSYARKU-UHFFFAOYSA-N", "dbp:inchikey": "MIZGSAALSYARKU-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004325" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "92292", "@type": "xsd:int" }, "dbo:casNumber": [ "33704-61-9", "155667-06-4" ], "dbo:smiles": "CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C", "dbo:formula": "C14H22O", "rdfs:seeAlso": { "@id": "compound:92292" }, "skos:prefLabel": { "@language": "nl", "@value": "cashmeran" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one" }, "dbo:inchi": "InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3", "skos:notation": "DPMI" }, { "@id": "csc:PXUULQAPEKKVAH-UHFFFAOYSA-N", "dbo:formula": "C6HF11O2", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:altLabel": [ { "@language": "nl", "@value": "perfluorhexaanzuur (pfhxa)" }, { "@language": "nl", "@value": "perfluor-n-hexaanzuur" }, { "@language": "nl", "@value": "perfluorhexaanzuur" } ], "rdfs:seeAlso": { "@id": "compound:67542" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003962" }, "dbo:smiles": "C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O", "dbp:inchikey": "PXUULQAPEKKVAH-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)", "dbo:casNumber": "307-24-4", "skos:prefLabel": { "@language": "nl", "@value": "perfluor-n-hexaanzuur (pfhxa)" }, "dbo:pubchem": { "@value": "67542", "@type": "xsd:int" }, "skos:notation": "PFHxA", "dbo:iupacName": { "@language": "en", "@value": "2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid" } }, { "@id": "csc:OMFRMAHOUUJSGP-UNOMPAQXSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "['(2-methyl-3-phenylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '(2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate']" }, "dbo:formula": "C23H22ClF3O2", "skos:prefLabel": { "@language": "nl", "@value": "bifenthrin" }, "dbp:inchikey": "OMFRMAHOUUJSGP-UNOMPAQXSA-N", "dbo:pubchem": { "@value": "5281872", "@type": "xsd:int" }, "dbo:casNumber": [ "82657-04-3", "92880-79-0" ], "skos:broader": { "@id": 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"csc:CHEMONTID_0004748" } }, { "@id": "csc:GDSQRBLILFKERU-UHFFFAOYSA-N", "skos:notation": "HCFK225bb", "dbo:formula": "C3HCl2F5", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "GDSQRBLILFKERU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:61110" }, "dbo:casNumber": "422-44-6", "skos:prefLabel": { "@language": "nl", "@value": "1,2-dichloor-1,1,2,3,3-pentafluorpropaan" }, "dbo:iupacName": { "@language": "en", "@value": "1,2-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C3HCl2F5/c4-2(8,1(6)7)3(5,9)10/h1H", "dbo:pubchem": { "@value": "61110", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbo:smiles": "C(C(C(F)(F)Cl)(F)Cl)(F)F" }, { "@id": "csc:ZXCYIJGIGSDJQQ-UHFFFAOYSA-N", "dbp:inchikey": "ZXCYIJGIGSDJQQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "12018", "@type": "xsd:int" }, "skos:notation": "23DClC3ol", "skos:prefLabel": { "@language": 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"@value": "2-(4-bromo-2,5-dimethoxyphenyl)ethanamine" }, "skos:notation": "24Br25DC1oxF", "dbo:casNumber": "66142-81-2", "skos:prefLabel": { "@language": "nl", "@value": "2-(4-broom-2,5-dimethoxyfenyl) ethylamine" }, "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" }, { "@id": "csc:BPMVRAQIQQEBLN-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0000486" }, "dbo:casNumber": [ "39310-25-3", "6804-07-5" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "COC(=O)N=NC=C1C=[N+](C2=CC=CC=C2N1O)[O-]", "rdfs:seeAlso": { "@id": "compound:2553" }, "skos:notation": "carbdx", "skos:prefLabel": { "@language": "nl", "@value": "carbadox" }, "dbo:formula": "C11H10N4O4", "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:pubchem": { "@value": "2553", "@type": "xsd:int" }, "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", "dbp:inchikey": "BPMVRAQIQQEBLN-UHFFFAOYSA-N" }, { "@id": "csc:PSGPXWYGJGGEEG-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "flurnC4y", "dbp:inchikey": "PSGPXWYGJGGEEG-UHFFFAOYSA-N", "dbo:formula": "C18H18O3", "dbo:casNumber": "2314-09-2", "rdfs:seeAlso": { "@id": "compound:40816" }, "dbo:iupacName": { "@language": "en", "@value": "Butyl 9-hydroxyfluorene-9-carboxylate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O", "dbo:pubchem": { "@value": "40816", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000020" }, "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:prefLabel": { "@language": "nl", "@value": "flurenol-butyl" } }, { "@id": "csc:GHVNFZFCNZKVNT-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "decaanzuur" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "2969", "@type": "xsd:int" }, "dbp:inchikey": "GHVNFZFCNZKVNT-UHFFFAOYSA-N", "dbo:smiles": "CCCCCCCCCC(=O)O", "rdfs:seeAlso": { "@id": "compound:2969" }, "dbo:casNumber": [ "52627-73-3", "334-48-5" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0003086" }, "dbo:formula": "C10H20O2", "dbo:iupacName": { "@language": "en", "@value": "Decanoic acid" }, "skos:notation": "C10azr", "dbo:inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" }, { "@id": "csc:UJIGKESMIPTWJH-UHFFFAOYSA-N", "skos:notation": "HCFK225cb", "dbo:pubchem": { "@value": "62353", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "C(C(C(F)(F)Cl)(F)F)(F)Cl", "skos:prefLabel": { "@language": "nl", "@value": "1,3-dichloor-1,1,2,2,3-pentafluorpropaan" }, "dbo:casNumber": "507-55-1", "rdfs:seeAlso": { "@id": "compound:62353" }, "dbo:formula": "C3HCl2F5", "dbo:inchi": "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H", "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbp:inchikey": "UJIGKESMIPTWJH-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,3-Dichloro-1,1,2,2,3-pentafluoropropane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:OZAIFHULBGXAKX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(C)(C#N)N=NC(C)(C)C#N", "dbo:casNumber": [ "34241-39-9", "95210-41-6", "67035-64-7", "58449-80-2", "78-67-1", "80748-81-8", "76012-28-7", "39322-24-2" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3", "skos:prefLabel": { "@language": "nl", "@value": "2,2'-dimethyl-2,2'-azodipropiononitril" }, "skos:broader": { "@id": "csc:CHEMONTID_0000410" }, "rdfs:seeAlso": { "@id": "compound:6547" }, "skos:notation": "22DC1y22aDpp", "dbo:formula": "C8H12N4", "dbo:iupacName": { "@language": "en", "@value": "2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile" }, "dbo:pubchem": { "@value": "6547", "@type": "xsd:int" }, "dbp:inchikey": "OZAIFHULBGXAKX-UHFFFAOYSA-N" }, { "@id": "csc:CKPCAYZTYMHQEX-JXAWBTAJSA-N", "dbo:casNumber": "88283-41-4", "dbp:inchikey": "CKPCAYZTYMHQEX-JXAWBTAJSA-N", "dbo:smiles": "CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl", "dbo:formula": "C14H12Cl2N2O", "dbo:inchi": "InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-", "rdfs:seeAlso": { "@id": "compound:6023583" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "pyrfnx", "skos:prefLabel": { "@language": "nl", "@value": "pyrifenox" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine" }, "dbo:pubchem": { "@value": "6023583", "@type": "xsd:int" } }, { "@id": "csc:LOCWBQIWHWIRGN-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:inchi": "InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "2Cl4NO2An", "dbo:pubchem": { "@value": "8492", "@type": "xsd:int" }, "dbo:formula": "C6H5ClN2O2", "dbo:iupacName": { "@language": "en", "@value": "2-Chloro-4-nitroaniline" }, "dbo:casNumber": "121-87-9", "dbo:smiles": "C1=CC(=C(C=C1[N+](=O)[O-])Cl)N", "rdfs:seeAlso": { "@id": "compound:8492" }, "dbp:inchikey": "LOCWBQIWHWIRGN-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-4-nitroaniline" } }, { "@id": "csc:CRVGTESFCCXCTH-UHFFFAOYSA-N", "dbp:inchikey": "CRVGTESFCCXCTH-UHFFFAOYSA-N", "dbo:casNumber": [ "105-59-9", "511262-76-3" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CN(CCO)CCO", "dbo:pubchem": { "@value": "7767", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001897" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2-hydroxyethyl-methylamino)ethanol" }, "rdfs:seeAlso": { "@id": "compound:7767" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2'-methyliminodiethanol" }, "dbo:inchi": "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3", "skos:notation": "22C1yimnDC2o", "dbo:formula": "C5H13NO2" }, { "@id": "csc:MNWFXJYAOYHMED-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": 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{ "@id": "csc:CHEMONTID_0002404" }, "dbo:pubchem": { "@value": "53597", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "azanium 2-amino-4-(hydroxy-methylphosphoryl)butanoate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3", "rdfs:seeAlso": { "@id": "compound:53597" }, "dbo:smiles": "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]", "skos:altLabel": { "@language": "nl", "@value": "glufosinaat-ammonium" } }, { "@id": "csc:ALDJIKXAHSDLLB-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2)Cl)Cl", "dbo:casNumber": [ "70362-46-8", "41464-39-5" ], "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,5'-tetrachloorbifenyl" }, "rdfs:seeAlso": { "@id": "compound:38875" }, "dbo:formula": "C12H6Cl4", "dbp:inchikey": "ALDJIKXAHSDLLB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2-dichloro-3-(2,5-dichlorophenyl)benzene" }, "dbo:inchi": 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"@language": "en", "@value": "2-[2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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", "dbp:inchikey": "TWIMUEGVLWNOMO-UHFFFAOYSA-N", "dbo:casNumber": "27177-01-1", "skos:notation": "NPEO6", "rdfs:seeAlso": { "@id": "compound:168665" }, "dbo:pubchem": { "@value": "168665", "@type": "xsd:int" }, "dbo:smiles": "CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCO", "dbo:formula": "C27H48O7" }, { "@id": "csc:OYTJKRAYGYRUJK-FMCCZJBLSA-M", "dbp:inchikey": "OYTJKRAYGYRUJK-FMCCZJBLSA-M", "skos:notation": "rocrnBr", "skos:broader": { "@id": "csc:CHEMONTID_0001691" }, "dbo:inchi": 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"csc:LQZZUXJYWNFBMV-UHFFFAOYSA-N", "dbo:casNumber": [ "1322-35-6", "8014-32-2", "8032-08-4", "8032-10-8", "68855-55-0", "112-53-8", "8032-09-5", "68551-07-5" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "dodecan-1-ol" }, "rdfs:seeAlso": { "@id": "compound:8193" }, "skos:broader": { "@id": "csc:CHEMONTID_0001334" }, "dbo:pubchem": { "@value": "8193", "@type": "xsd:int" }, "dbo:formula": "C12H26O", "skos:prefLabel": { "@language": "nl", "@value": "1-dodecanol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "1C12ol", "dbp:inchikey": "LQZZUXJYWNFBMV-UHFFFAOYSA-N", "dbo:smiles": "CCCCCCCCCCCCO", "dbo:inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" }, { "@id": "csc:ULBXWWGWDPVHAO-UHFFFAOYSA-N", "dbp:inchikey": "ULBXWWGWDPVHAO-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "16073", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "chloorbufam" 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"dbp:inchikey": "ILKJAFIWWBXGDU-WRRBAOOESA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:39858" }, "dbo:casNumber": "51022-69-6", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "amcnnde", "dbo:pubchem": { "@value": "39858", "@type": "xsd:int" } }, { "@id": "csc:YPFDHNVEDLHUCE-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:10442" }, "dbo:casNumber": [ "504-63-2", "757125-93-2" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C(CO)CO", "skos:broader": { "@id": "csc:CHEMONTID_0000286" }, "dbo:formula": "C3H8O2", "dbp:inchikey": "YPFDHNVEDLHUCE-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10442", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Propane-1,3-diol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "trimethyleenglycol (1,3-propyleenglycol)" }, "skos:notation": 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"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid" }, "dbo:smiles": "C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F", "skos:broader": { "@id": "csc:CHEMONTID_0001179" }, "dbo:casNumber": "27619-97-2", "dbo:inchi": "InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)", "dbo:formula": "C8H5F13O3S" }, { "@id": "csc:FAPWRFPIFSIZLT-UHFFFAOYSA-M", "dbo:inchi": "InChI=1S/ClH.Na/h1H;/q;+1/p-1", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:5234" }, "dbo:smiles": "[Na+].[Cl-]", "dbp:inchikey": "FAPWRFPIFSIZLT-UHFFFAOYSA-M", "dbo:pubchem": { "@value": "5234", "@type": "xsd:int" }, "dbo:casNumber": [ "11062-43-4", "7647-14-5", "14784-90-8", "14762-51-7", "11062-32-1", "32343-72-9", "8028-77-1" ], "dbo:formula": "ClNa", "skos:broader": { "@id": "csc:CHEMONTID_0000563" }, "skos:prefLabel": { "@language": "nl", "@value": "natriumchloride" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "NaCl", "dbo:iupacName": { "@language": "en", "@value": "Sodium chloride" } }, { "@id": "csc:ZXQYGBMAQZUVMI-UNOMPAQXSA-N", "dbo:smiles": "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "['[cyano-[3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate']" }, "skos:prefLabel": { "@language": "nl", "@value": "cyhalothrin" }, "skos:broader": { "@id": "csc:CHEMONTID_0001461" }, "dbo:casNumber": "68085-85-8", "rdfs:seeAlso": { "@id": "compound:5281873" }, "dbo:inchi": "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-", "dbo:formula": "C23H19ClF3NO3", "skos:notation": "cyhltn", "dbo:pubchem": { "@value": "5281873", "@type": "xsd:int" }, "dbp:inchikey": "ZXQYGBMAQZUVMI-UNOMPAQXSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:VPNGEIHDPSLNMU-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "68601", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "86347-14-0", "86347-15-1" ], "dbp:inchikey": "VPNGEIHDPSLNMU-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "medetomidine hydrochloride" }, "skos:notation": "medtmdneHCl", "dbo:formula": "C13H17ClN2", "rdfs:seeAlso": { "@id": "compound:68601" }, "skos:broader": { "@id": "csc:CHEMONTID_0004210" }, "dbo:iupacName": { "@language": "en", "@value": "4-[1-(2,3-dimethylphenyl)ethyl]-3H-imidazole hydrochloride" }, "dbo:inchi": "InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H", "dbo:smiles": "CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl" }, { "@id": "csc:OZVBMTJYIDMWIL-AYFBDAFISA-N", "dbo:casNumber": "25614-03-3", "dbo:pubchem": { "@value": "31101", "@type": "xsd:int" }, "dbp:inchikey": "OZVBMTJYIDMWIL-AYFBDAFISA-N", "rdfs:seeAlso": { "@id": "compound:31101" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O", "dbo:formula": "C32H40BrN5O5", "skos:notation": "Brctne", "dbo:iupacName": { "@language": "en", "@value": "(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide" }, "dbo:inchi": "InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1", "skos:prefLabel": { "@language": "nl", "@value": "bromocriptine" }, "skos:broader": { "@id": "csc:CHEMONTID_0002746" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:UDHXJZHVNHGCEC-UHFFFAOYSA-N", "dbo:formula": "C23H15ClO3", "rdfs:seeAlso": { "@id": "compound:19402" }, "dbp:inchikey": "UDHXJZHVNHGCEC-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H", "dbo:smiles": "C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O", "skos:prefLabel": { "@language": "nl", "@value": "chloorfacinon" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "19402", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "clfcnn", "dbo:casNumber": "3691-35-8", "dbo:iupacName": { "@language": "en", "@value": "2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione" } }, { "@id": "csc:GWHCXVQVJPWHRF-KTKRTIGZSA-N", "skos:prefLabel": { "@language": "nl", "@value": "cis-15-tetracoseenzuur" }, "dbo:casNumber": "506-37-6", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "(Z)-tetracos-15-enoic acid" }, "dbo:inchi": "InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-", "dbp:inchikey": "GWHCXVQVJPWHRF-KTKRTIGZSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002950" }, "skos:notation": "c15C24ezr", "rdfs:seeAlso": { "@id": "compound:5281120" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O", "dbo:pubchem": { "@value": "5281120", "@type": "xsd:int" }, "dbo:formula": "C24H46O2" }, { "@id": "csc:LFNLGNPSGWYGGD-OUBTZVSYSA-N", "skos:notation": "Np238", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "dbo:inchi": "InChI=1S/Np/i1+1", "dbo:smiles": "[Np]", "skos:prefLabel": { "@language": "nl", "@value": "neptunium 238" }, "dbp:inchikey": "LFNLGNPSGWYGGD-OUBTZVSYSA-N", "rdfs:seeAlso": { "@id": "compound:167422" }, "dbo:pubchem": { "@value": "167422", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "15766-25-3", "dbo:iupacName": { "@language": "en", "@value": "neptunium-238" }, "dbo:formula": "Np" }, { "@id": "csc:STRTXDFFNXSZQB-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": "156-62-7", "dbo:inchi": "InChI=1S/CH2N2.Ca/c2-1-3;/h2H2;/q;+2", "skos:notation": "CacaAd", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:21917771" }, "dbp:inchikey": "STRTXDFFNXSZQB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "CALCIUM CYANAMIDE" }, "dbo:pubchem": { "@value": "21917771", "@type": "xsd:int" }, "dbo:formula": "CH2CaN2+2", "skos:prefLabel": { "@language": "nl", "@value": "calciumcyanamide" }, "dbo:smiles": "C(#N)N.[Ca+2]" }, { "@id": "csc:IMUDHTPIFIBORV-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "8795", "@type": "xsd:int" }, "dbo:formula": "C6H15N3", "dbp:inchikey": "IMUDHTPIFIBORV-UHFFFAOYSA-N", "dbo:casNumber": "140-31-8", "skos:broader": { "@id": "csc:CHEMONTID_0003357" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1CN(CCN1)CCN", "rdfs:seeAlso": { "@id": "compound:8795" }, "skos:prefLabel": { "@language": "nl", "@value": "2-aminoethylpiperazine" }, "dbo:iupacName": { "@language": "en", "@value": "2-piperazin-1-ylethanamine" }, "skos:notation": "2AoC2ypprzne", "dbo:inchi": "InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2" }, { "@id": "csc:RCINICONZNJXQF-VAZQATRQSA-N", "dbo:casNumber": "33069-62-4", "dbo:iupacName": { "@language": "en", "@value": "[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate" }, "dbo:formula": "C47H51NO14", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1", "dbp:inchikey": "RCINICONZNJXQF-VAZQATRQSA-N", "skos:notation": "pactxl", 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"dbo:pubchem": { "@value": "5486527", "@type": "xsd:int" } }, { "@id": "csc:XUXNAKZDHHEHPC-UHFFFAOYSA-M", "dbo:pubchem": { "@value": "24607", "@type": "xsd:int" }, "skos:notation": "NaBrO3", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000631" }, "dbo:casNumber": [ "38869-75-9", "7789-38-0", "38869-76-0" ], "dbo:smiles": "[O-]Br(=O)=O.[Na+]", "rdfs:seeAlso": { "@id": "compound:24607" }, "dbo:formula": "BrNaO3", "dbo:inchi": "InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1", "dbp:inchikey": "XUXNAKZDHHEHPC-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "natriumbromaat" }, "dbo:iupacName": { "@language": "en", "@value": "SODIUM BROMATE" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:UVCJGUGAGLDPAA-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": [ "165659-93-8", "27503-81-7" ], "skos:prefLabel": { "@language": "nl", "@value": "2-fenyl-1h-benzimidazol-5-sulfonzuur" }, "dbo:pubchem": { "@value": "33919", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "2-fenyl-1H-benzimidazol-5-sulfonzuur" }, "dbo:smiles": "C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O", "dbp:inchikey": "UVCJGUGAGLDPAA-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)", "rdfs:seeAlso": { "@id": "compound:33919" }, "dbo:iupacName": { "@language": "en", "@value": "2-phenyl-3H-benzimidazole-5-sulfonic acid" }, "dbo:formula": "C13H10N2O3S", "skos:broader": { "@id": "csc:CHEMONTID_0000330" }, "skos:notation": "2Fy1Hbzmdz5s" }, { "@id": "csc:WYVVKGNFXHOCQV-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)", "skos:notation": "IppnC4ycbmt", 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"ZVFDTKUVRCTHQE-UHFFFAOYSA-N", "dbo:smiles": "CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C", "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:IMACFCSSMIZSPP-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0004298" }, "dbo:iupacName": { "@language": "en", "@value": "2-Chloro-1-phenylethanone" }, "dbo:formula": "C8H7ClO", "dbo:pubchem": { "@value": "10757", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2", "skos:notation": "2Clactfnn", "rdfs:seeAlso": { "@id": "compound:10757" }, "dbp:inchikey": "IMACFCSSMIZSPP-UHFFFAOYSA-N", "dbo:casNumber": "532-27-4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2-chlooracetofenon" }, "dbo:smiles": "C1=CC=C(C=C1)C(=O)CCl" }, { "@id": "csc:YBYIRNPNPLQARY-UHFFFAOYSA-N", "dbo:smiles": "C1C=CC2=CC=CC=C21", "dbo:formula": "C9H8", "rdfs:seeAlso": { "@id": "compound:7219" }, "skos:broader": { "@id": "csc:CHEMONTID_0000021" }, "skos:notation": "inde", "dbo:casNumber": [ "9003-64-9", "71551-80-9", "95-13-6" ], "dbo:iupacName": { "@language": "en", "@value": "1H-Indene" }, "dbp:inchikey": "YBYIRNPNPLQARY-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7219", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "indeen" }, "dbo:inchi": "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:RUCAXVJJQQJZGU-UHFFFAOYSA-M", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "glyfosaat-trimesium" }, "dbo:formula": "C6H16NO5PS", "skos:notation": "glyfsTmsm", "dbo:casNumber": [ "87090-28-6", "81591-81-3" ], "dbo:pubchem": { "@value": "105048", "@type": "xsd:int" }, "dbo:smiles": "C[S+](C)C.C(C(=O)[O-])NCP(=O)(O)O", "dbp:inchikey": "RUCAXVJJQQJZGU-UHFFFAOYSA-M", "dbo:inchi": "InChI=1S/C3H8NO5P.C3H9S/c5-3(6)1-4-2-10(7,8)9;1-4(2)3/h4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;+1/p-1", "dbo:iupacName": { "@language": "en", "@value": "2-(phosphonomethylamino)acetate; trimethylsulfanium" }, "rdfs:seeAlso": { "@id": "compound:105048" }, "skos:broader": { "@id": "csc:CHEMONTID_0000060" } }, { "@id": "csc:XQVCBOLNTSUFGD-UHFFFAOYSA-N", "dbp:inchikey": "XQVCBOLNTSUFGD-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3", "dbo:formula": "C7H8ClNO", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004670" }, "dbo:casNumber": "5345-54-0", "dbo:pubchem": { "@value": "21441", "@type": "xsd:int" }, "skos:notation": "3Cl4C1oxAn", "dbo:iupacName": { "@language": "en", "@value": "3-Chloro-4-methoxyaniline" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:21441" }, "dbo:smiles": "COC1=C(C=C(C=C1)N)Cl", "skos:prefLabel": { "@language": "nl", "@value": "3-chloor-4-methoxyaniline" } }, { "@id": "csc:DSSYKIVIOFKYAU-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,7,7-trimethylbicyclo[2.2.1]heptan-2-one" }, "dbo:smiles": "CC1(C2CCC1(C(=O)C2)C)C", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "camfor" }, "dbp:inchikey": "DSSYKIVIOFKYAU-UHFFFAOYSA-N", "dbo:casNumber": [ "68546-28-1", "48113-22-0", "76-22-2", "21368-68-3", "8013-55-6", "8022-77-3" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001564" }, "dbo:inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3", "rdfs:seeAlso": { "@id": "compound:2537" }, "dbo:formula": "C10H16O", "skos:notation": "camfr", "dbo:pubchem": { "@value": "2537", "@type": "xsd:int" } }, { "@id": "csc:ZEKANFGSDXODPD-UHFFFAOYSA-N", "dbo:smiles": "CC(C)N.C(C(=O)O)NCP(=O)(O)O", "skos:broader": { "@id": "csc:CHEMONTID_0000060" }, "dbo:casNumber": [ "106805-61-2", "258263-91-1", "39226-77-2", "38641-94-0", "96638-41-4", "96639-11-1" ], "rdfs:seeAlso": { "@id": "compound:38078" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "glyfosaat-isopropylammonium" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "glyfsiC3yNH4", "dbo:inchi": "InChI=1S/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3", "dbo:pubchem": { "@value": "38078", "@type": "xsd:int" }, "dbo:formula": "C6H17N2O5P", "dbo:iupacName": { "@language": "en", "@value": "2-(phosphonomethylamino)acetic acid; propan-2-amine" }, "dbp:inchikey": "ZEKANFGSDXODPD-UHFFFAOYSA-N" }, { "@id": "csc:INLLPKCGLOXCIV-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002864" }, "dbo:formula": "C2H3Br", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:11641" }, "skos:prefLabel": { "@language": "nl", "@value": "broometheen" }, "dbp:inchikey": "INLLPKCGLOXCIV-UHFFFAOYSA-N", "dbo:casNumber": [ "25951-54-6", "593-60-2" ], "skos:notation": "BrC2e", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C2H3Br/c1-2-3/h2H,1H2", "dbo:smiles": "C=CBr", "dbo:pubchem": { "@value": "11641", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Bromoethene" } }, { "@id": "csc:IBOFVQJTBBUKMU-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "skos:notation": "44C1yeb2ClAn", "dbo:casNumber": [ "29371-14-0", "51065-07-7", "101-14-4", "126699-69-2", "78642-65-6" ], "dbo:smiles": "C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N", "skos:altLabel": { "@language": "nl", "@value": "4,4'-methyleenbis(2-chlooraniline)" }, "dbp:inchikey": "IBOFVQJTBBUKMU-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7543", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline" }, "skos:prefLabel": { "@language": "nl", "@value": "4,4’-methylenebis(2-chlooraniline)" }, "rdfs:seeAlso": { "@id": "compound:7543" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C13H12Cl2N2", "dbo:inchi": "InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2" }, { "@id": "csc:ZDRBJJNXJOSCLR-YZKQBBCCSA-N", "dbo:smiles": "CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N.Cl", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "kasgmcne", "rdfs:seeAlso": { "@id": "compound:88045" }, "skos:prefLabel": { "@language": "nl", "@value": "kasugamycine" }, "dbo:casNumber": [ "19408-46-9", "6980-18-3" ], "dbo:pubchem": { "@value": "88045", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001675" }, "dbp:inchikey": "ZDRBJJNXJOSCLR-YZKQBBCCSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid;hydrochloride" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C14H25N3O9.ClH/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-;/m1./s1", "dbo:formula": "C14H26ClN3O9" }, { "@id": "csc:UCSJYZPVAKXKNQ-HZYVHMACSA-N", "dbp:inchikey": "UCSJYZPVAKXKNQ-HZYVHMACSA-N", "skos:notation": "streptmcne", "skos:broader": { "@id": "csc:CHEMONTID_0001675" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "streptomycine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C21H39N7O12", "dbo:inchi": "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1", "dbo:casNumber": "57-92-1", "dbo:smiles": "CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O", "dbo:pubchem": { "@value": "19649", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine" }, "rdfs:seeAlso": { "@id": "compound:19649" } }, { "@id": "csc:JARKCYVAAOWBJS-UHFFFAOYSA-N", "dbp:inchikey": "JARKCYVAAOWBJS-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "C6al", "rdfs:seeAlso": { "@id": "compound:6184" }, "skos:prefLabel": { "@language": "nl", "@value": "hexanal" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002229" }, "dbo:smiles": "CCCCCC=O", "dbo:pubchem": { "@value": "6184", "@type": "xsd:int" }, "dbo:casNumber": "66-25-1", "dbo:inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3", "dbo:iupacName": { "@language": "en", "@value": "Hexanal" }, "dbo:formula": "C6H12O" }, { "@id": "csc:AFWOYEYXUDHGHF-UHFFFAOYSA-N", "dbo:formula": "C20H9F34O4P", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:altLabel": [ { "@language": "nl", "@value": "bisperfluordecylwaterstoffosfaat (8:2 dipap)" }, { "@language": "nl", "@value": "8:2 fluortelomeerfosfaat diester" }, { "@language": "nl", "@value": "bisperfluordecylwaterstoffosfaat (8:2 diPAP)" } ], "dbo:iupacName": { "@language": "en", "@value": "Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate" }, 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"csc:TUGYIJVAYAHHHM-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "TUGYIJVAYAHHHM-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20(24),21-dodecaene" }, "dbo:formula": "C24H14", "dbo:pubchem": { "@value": "9106", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=CC=CC=C6C(=C54)C=C3", "skos:prefLabel": { "@language": "nl", "@value": "dibenzo(a,l)pyreen" }, "skos:broader": { "@id": "csc:CHEMONTID_0000316" }, "skos:notation": "DBalP", "dbo:casNumber": "189-55-9", "rdfs:seeAlso": { "@id": "compound:9106" } }, { "@id": "csc:FUZZWVXGSFPDMH-UHFFFAOYSA-N", "dbo:casNumber": [ "51109-46-7", "70248-25-8", "142-62-1", "8040-17-3", "19455-00-6", "16571-42-9", "53896-26-7", "67762-36-1", "13476-79-4", "68603-84-9" ], "skos:prefLabel": { "@language": "nl", "@value": "hexaanzuur" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CCCCCC(=O)O", "dbp:inchikey": "FUZZWVXGSFPDMH-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003086" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Hexanoic acid" }, "rdfs:seeAlso": { "@id": "compound:8892" }, "dbo:formula": "C6H12O2", "skos:notation": "C6azr", "dbo:inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)", "dbo:pubchem": { "@value": "8892", "@type": "xsd:int" } }, { "@id": "csc:MLGCXEBRWGEOQX-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "tetradifon" }, "dbo:inchi": "InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H", "skos:notation": "T4Dfn", "dbo:casNumber": "116-29-0", "@type": [ "skos:Concept", "dbo:ChemicalCompound", 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"en", "@value": "benzyl-dodecyl-dimethylazanium chloride" }, "rdfs:seeAlso": { "@id": "compound:8753" }, "dbp:inchikey": "JBIROUFYLSSYDX-UHFFFAOYSA-M", "dbo:pubchem": { "@value": "8753", "@type": "xsd:int" }, "dbo:smiles": "CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]", "skos:broader": { "@id": "csc:CHEMONTID_0003977" }, "dbo:formula": "C21H38ClN", "skos:notation": "DDBAC", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:GCKZANITAMOIAR-XWVCPFKXSA-N", "dbo:pubchem": { "@value": "11650986", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "emamectin-benzoaat" }, "dbo:casNumber": "155569-91-8", "dbo:iupacName": { "@language": "en", "@value": "benzoic 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"81412-43-3", "24602-86-6" ], "skos:prefLabel": { "@language": "nl", "@value": "tridemorf" }, "dbo:inchi": "InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3", "dbo:smiles": "CCCCCCCCCCCCCN1CC(OC(C1)C)C", "dbo:formula": "C19H39NO", "dbp:inchikey": "YTOPFCCWCSOHFV-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:32518" }, "dbo:iupacName": { "@language": "en", "@value": "2,6-Dimethyl-4-tridecylmorpholine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:FWFUWXVFYKCSQA-UHFFFAOYSA-M", "rdfs:seeAlso": { "@id": "compound:3034154" }, "dbo:casNumber": [ "129701-88-8", "192388-82-2", "76701-57-0", "95243-13-3", "152634-06-5", "112666-19-0", "5165-97-9", "171063-24-4", "113996-54-6", "86848-82-0", "15214-89-8", "115137-50-3" ], "skos:notation": "2acamd2C1yC3", "skos:prefLabel": { "@language": "nl", "@value": "2-acrylamido-2-methylpropaansulfonzuur" }, "dbo:iupacName": { "@language": "en", "@value": "sodium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate" }, "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", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C7H12NNaO4S", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "3034154", "@type": "xsd:int" }, "dbo:smiles": "CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[Na+]", "skos:broader": { "@id": "csc:CHEMONTID_0001179" }, "dbp:inchikey": "FWFUWXVFYKCSQA-UHFFFAOYSA-M" }, { "@id": "csc:ZJMZZNVGNSWOOM-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "11096-33-6", "38473-42-6", "26259-45-0" ], "dbo:pubchem": { "@value": "33443", "@type": "xsd:int" }, "dbo:formula": "C10H19N5O", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:33443" }, "skos:broader": { "@id": "csc:CHEMONTID_0004731" }, "dbo:smiles": "CCC(C)NC1=NC(=NC(=N1)NCC)OC", "skos:prefLabel": { "@language": "nl", "@value": "secbumeton" }, "dbo:iupacName": { "@language": "en", "@value": "N-butan-2-yl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" }, "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)", "dbp:inchikey": "ZJMZZNVGNSWOOM-UHFFFAOYSA-N", "skos:notation": "secbmtn" }, { "@id": "csc:RJCQBQGAPKAMLL-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "broomtrifluormethaan" }, "dbp:inchikey": "RJCQBQGAPKAMLL-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/CBrF3/c2-1(3,4)5", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0004157" }, "dbo:casNumber": [ "62395-25-9", "75-63-8" ], "dbo:iupacName": { "@language": "en", "@value": "bromo-trifluoromethane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(F)(F)(F)Br", "rdfs:seeAlso": { "@id": "compound:6384" }, "dbo:pubchem": { "@value": "6384", "@type": "xsd:int" }, "skos:notation": "halon1301", "dbo:formula": "CBrF3" }, { "@id": "csc:ABBKOIZWGCVCKE-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)", "dbo:pubchem": { "@value": "185831", "@type": "xsd:int" }, "dbo:smiles": "CC(C)C1=CC=C(C=C1)NC(=O)N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "56046-17-4", "skos:broader": { "@id": "csc:CHEMONTID_0001935" }, "skos:prefLabel": { "@language": "nl", "@value": "1-(4-isopropylfenyl)ureum" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "ABBKOIZWGCVCKE-UHFFFAOYSA-N", "dbo:formula": "C10H14N2O", "dbo:iupacName": { "@language": "en", "@value": "(4-propan-2-ylphenyl)urea" }, "rdfs:seeAlso": { "@id": "compound:185831" }, "skos:notation": "14iC3yFyurum" }, { "@id": "csc:CZZYITDELCSZES-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "phenylmethylbenzene" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "CZZYITDELCSZES-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "difenylmethaan" }, "dbo:casNumber": "101-81-5", "dbo:pubchem": { "@value": "7580", "@type": "xsd:int" }, "dbo:smiles": "C1=CC=C(C=C1)CC2=CC=CC=C2", "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "rdfs:seeAlso": { "@id": "compound:7580" }, "dbo:formula": "C13H12", "dbo:inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2", "skos:notation": "DFyC1a" }, { "@id": "csc:ACTOXUHEUCPTEW-JMRHEKERSA-N", "skos:altLabel": { "@language": "nl", "@value": "spiramycine (i+ii+iii)" }, "dbo:casNumber": "8025-81-8", "dbo:smiles": "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C", "dbp:inchikey": "ACTOXUHEUCPTEW-JMRHEKERSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C43H74N2O14", "rdfs:seeAlso": { "@id": "compound:6419898" }, "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']" }, "dbo:pubchem": { "@value": "6419898", "@type": "xsd:int" }, "skos:notation": "spirmcne", "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:broader": { "@id": "csc:CHEMONTID_0000282" }, "skos:prefLabel": { "@language": "nl", "@value": "spiramycine (I+II+III)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:MIJLZGZLQLAQCM-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "87237-48-7", "126518-70-5" ], "skos:broader": { "@id": "csc:CHEMONTID_0004677" }, "skos:prefLabel": { "@language": "nl", "@value": "haloxyfop-ethoxyethyl" }, "dbo:iupacName": { "@language": "en", "@value": "2-ethoxyethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" }, "dbo:pubchem": { "@value": "91743", "@type": "xsd:int" }, "dbo:formula": "C19H19ClF3NO5", "rdfs:seeAlso": { "@id": "compound:91743" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "CCOCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl", "dbp:inchikey": "MIJLZGZLQLAQCM-UHFFFAOYSA-N", "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", "skos:notation": "halOxfC2oxC2" }, { "@id": "csc:SZVGIJOITCPDPM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:15099039" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "11Cl‐PF3OUnDS", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2-(8-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctoxy)-1,1,2,2-tetrafluoroethanesulfonic acid" }, "dbo:pubchem": { "@value": "15099039", "@type": "xsd:int" }, "dbo:casNumber": "763051-92-9", "dbp:inchikey": 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"1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonic acid" }, "dbp:inchikey": "ICKAEAFPESRWOT-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C8HF15O3S/c9-1(4(14,15)8(21,22)23)2(10,11)5(16,17)7(20,27(24,25)26)6(18,19)3(1,12)13/h(H,24,25,26)", "dbo:formula": "C8HF15O3S", "dbo:casNumber": "646-83-3", "skos:notation": "PFECHS", "dbo:pubchem": { "@value": "101650", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluor-4-ethylcyclohexaansulfonzuur" }, "dbo:smiles": "C1(C(C(C(C(C1(F)F)(F)F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)F", "rdfs:seeAlso": { "@id": "compound:101650" } }, { "@id": "csc:JFALSRSLKYAFGM-AHCXROLUSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "JFALSRSLKYAFGM-AHCXROLUSA-N", "dbo:inchi": "InChI=1S/U/i1-4", "skos:notation": "U234", "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "skos:inScheme": { "@id": 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"@language": "nl", "@value": "Octafluorpropaan is propaan waarin alle waterstofatomen zijn vervangen door fluorverbindingen. Het is een fluorkoolstof en een fluoralkaan. Het is afgeleid van een hydride van een propaan." }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:OBYVIBDTOCAXSN-UHFFFAOYSA-N", "dbo:formula": "C8H19N", "dbo:pubchem": { "@value": "12277", "@type": "xsd:int" }, "skos:notation": "N1C1yC3y2C4a", "rdfs:seeAlso": { "@id": "compound:12277" }, "dbp:inchikey": "OBYVIBDTOCAXSN-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3", "dbo:smiles": "CCC(C)NC(C)CC", "dbo:iupacName": { "@language": "en", "@value": "N-butan-2-ylbutan-2-amine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "n-(1-methylpropyl)-2-butaanamine" }, "dbo:casNumber": "626-23-3", "skos:broader": { "@id": "csc:CHEMONTID_0002228" }, "skos:altLabel": { "@language": "nl", "@value": "N-(1-methylpropyl)-2-butaanamine" } }, { "@id": "csc:BHNZEZWIUMJCGF-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6388", "@type": "xsd:int" }, "dbp:inchikey": "BHNZEZWIUMJCGF-UHFFFAOYSA-N", "dbo:casNumber": [ "75-68-3", "65762-25-6" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "1-chloor-1,1-difluorethaan" }, "dbo:inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3", "dbo:formula": "C2H3ClF2", "skos:notation": "HCFK142b", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbo:iupacName": { "@language": "en", "@value": "1-Chloro-1,1-difluoroethane" }, "dbo:smiles": "CC(F)(F)Cl", "rdfs:seeAlso": { "@id": "compound:6388" } }, { "@id": "csc:HHRACYLRBOUBKM-UHFFFAOYSA-N", "dbp:inchikey": "HHRACYLRBOUBKM-UHFFFAOYSA-N", "dbo:casNumber": [ "29298-03-1", "124632-41-3", "128994-01-4", "3101-60-8", "99938-81-5", "71281-67-9" ], "skos:notation": "4ttC4yFygcdE", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "18360", "@type": "xsd:int" }, "dbo:smiles": "CC(C)(C)C1=CC=C(C=C1)OCC2CO2", "dbo:inchi": "InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3", "dbo:formula": "C13H18O2", "dbo:iupacName": { "@language": "en", "@value": "2-[(4-tert-butylphenoxy)methyl]oxirane" }, "skos:prefLabel": { "@language": "nl", "@value": "4-tert-butylfenylglycidylether" }, "rdfs:seeAlso": { "@id": "compound:18360" } }, { "@id": "csc:JTZCTMAVMHRNTR-UHFFFAOYSA-N", "dbp:inchikey": "JTZCTMAVMHRNTR-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "41463", "@type": "xsd:int" }, "dbo:formula": "C19H23ClN2O2S", "dbo:iupacName": { "@language": "en", "@value": "(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate" }, "dbo:inchi": "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3", "skos:broader": { "@id": "csc:CHEMONTID_0004147" }, "dbo:casNumber": "55512-33-9", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl", "skos:prefLabel": { "@language": "nl", "@value": "pyridaat" }, "rdfs:seeAlso": { "@id": "compound:41463" }, "skos:notation": "pyrdt" }, { "@id": "csc:GOJCZVPJCKEBQV-UHFFFAOYSA-N", "dbp:inchikey": "GOJCZVPJCKEBQV-UHFFFAOYSA-N", "skos:notation": "C4yFtyC4ygcl", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:6819" }, "dbo:pubchem": { "@value": "6819", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "butyl ftalyl butyl glycolaat" }, "dbo:smiles": "CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC", "dbo:inchi": "InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3", "dbo:formula": "C18H24O6", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "O2-(2-butoxy-2-oxoethyl) O1-butyl benzene-1,2-dicarboxylate" }, "dbo:casNumber": "85-70-1", "skos:broader": { "@id": "csc:CHEMONTID_0001350" } }, { "@id": "csc:IQDGSYLLQPDQDV-UHFFFAOYSA-N", "dbp:inchikey": "IQDGSYLLQPDQDV-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H", "dbo:formula": "C2H8ClN", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "DC1yAeHCl", "dbo:smiles": "CNC.Cl", "rdfs:seeAlso": { "@id": "compound:10473" }, "dbo:iupacName": { "@language": "en", "@value": "['N-Methylmethanamine hydrochloride', 'hydron; N-methylmethanamine; chloride']" }, "skos:broader": { "@id": "csc:CHEMONTID_0002228" }, "dbo:casNumber": "506-59-2", "skos:prefLabel": { "@language": "nl", "@value": "dimethylamine-hydrochloride" }, "dbo:pubchem": { "@value": "10473", "@type": "xsd:int" } }, { "@id": "csc:MWOOGOJBHIARFG-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:1183" }, "dbp:inchikey": "MWOOGOJBHIARFG-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "vanilline" }, "dbo:pubchem": { "@value": "1183", "@type": "xsd:int" }, "skos:notation": "vanlne", "dbo:casNumber": [ "121-33-5", "52447-63-9", "8014-42-4" ], "dbo:smiles": "COC1=C(C=CC(=C1)C=O)O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000190" }, "dbo:formula": "C8H8O3", "dbo:inchi": "InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3", "dbo:iupacName": { "@language": "en", "@value": "4-Hydroxy-3-methoxybenzaldehyde" } }, { "@id": "csc:UMGDCJDMYOKAJW-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0001209" }, "dbo:formula": "CH4N2S", "rdfs:seeAlso": { "@id": "compound:6118" }, "dbp:inchikey": "UMGDCJDMYOKAJW-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)", "dbo:iupacName": { "@language": "en", "@value": "Thiourea" }, "dbo:casNumber": "62-56-6", "skos:prefLabel": { "@language": "nl", "@value": "thioureum" }, "skos:notation": "tourm", "dbo:pubchem": { "@value": "6118", "@type": "xsd:int" }, "dbo:smiles": "C(=N)(N)S" }, { "@id": "csc:ZZYSLNWGKKDOML-UHFFFAOYSA-N", "dbo:casNumber": "119168-77-3", "dbo:inchi": "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)", "skos:notation": "tebfprd", "dbo:pubchem": { "@value": "86354", "@type": "xsd:int" }, "dbp:inchikey": "ZZYSLNWGKKDOML-UHFFFAOYSA-N", "dbo:smiles": "CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C", "dbo:iupacName": { "@language": "en", "@value": "N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide" }, "dbo:formula": "C18H24ClN3O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "tebufenpyrad" }, "rdfs:seeAlso": { "@id": "compound:86354" }, "skos:broader": { "@id": "csc:CHEMONTID_0002811" } }, { "@id": "csc:WDNBURPWRNALGP-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C=C1O)Cl)Cl", "dbp:inchikey": "WDNBURPWRNALGP-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:formula": "C6H4Cl2O", "rdfs:seeAlso": { "@id": "compound:7258" }, "dbo:inchi": "InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "3,4-dichloorfenol" }, "dbo:iupacName": { "@language": "en", "@value": "3,4-Dichlorophenol" }, "dbo:casNumber": "95-77-2", "dbo:pubchem": { "@value": "7258", "@type": "xsd:int" }, "skos:notation": "34DClFol" }, { "@id": "csc:UAIXRPCCYXNJMQ-CHLZSUIASA-N", "dbo:formula": "C29H42ClNO4", "dbo:casNumber": [ "52485-79-7", "64425-21-4", "53152-21-9", "53187-13-6", "55327-62-3" ], "skos:notation": "bupofne", "dbo:pubchem": { "@value": "11969480", "@type": "xsd:int" }, "dbo:smiles": "CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.Cl", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "(1S,2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:11969480" }, "dbo:inchi": "InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26+,27-,28+,29?;/m1./s1", "dbp:inchikey": "UAIXRPCCYXNJMQ-CHLZSUIASA-N", "skos:prefLabel": { "@language": "nl", "@value": "buprenorfine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000025" } }, { "@id": "csc:VITSNECNFNNVQB-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C6H3Cl2NO2", "skos:prefLabel": { "@language": "nl", "@value": "2,6-dichloornitrobenzeen" }, "dbo:pubchem": { "@value": "11759", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "VITSNECNFNNVQB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,3-Dichloro-2-nitrobenzene" }, "dbo:inchi": "InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H", "dbo:casNumber": "601-88-7", "rdfs:seeAlso": { "@id": "compound:11759" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" } }, { "@id": "csc:WZZRJCUYSKKFHO-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "WZZRJCUYSKKFHO-UHFFFAOYSA-N", "dbo:smiles": "CC(C(=O)O)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2", "dbo:inchi": "InChI=1S/C16H13Cl2NO3/c1-10(16(21)22)19(12-7-8-13(17)14(18)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)", "dbo:pubchem": { "@value": "90756", "@type": "xsd:int" }, "dbo:formula": "C16H13Cl2NO3", "skos:prefLabel": { "@language": "nl", "@value": "benzoylprop" }, "dbo:iupacName": { "@language": "en", "@value": "2-[benzoyl-(3,4-dichlorophenyl)amino]propanoic acid" }, "rdfs:seeAlso": { "@id": "compound:90756" }, "skos:broader": { "@id": "csc:CHEMONTID_0004713" }, "dbo:casNumber": "22212-56-2", "skos:notation": "benzypp" }, { "@id": "csc:YAYNEUUHHLGGAH-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "YAYNEUUHHLGGAH-UHFFFAOYSA-N", "skos:notation": "1ClC12a", "rdfs:seeAlso": { "@id": "compound:8192" }, "dbo:inchi": "InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3", "dbo:iupacName": { "@language": "en", "@value": "1-Chlorododecane" }, "dbo:casNumber": "112-52-7", "dbo:smiles": "CCCCCCCCCCCCCl", "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbo:formula": "C12H25Cl", "skos:prefLabel": { "@language": "nl", "@value": "1-chloordodecaan" }, "dbo:pubchem": { "@value": "8192", "@type": "xsd:int" } }, { "@id": "csc:XLOMVQKBTHCTTD-UHFFFAOYSA-N", "dbo:casNumber": [ "8051-03-4", "57206-86-7", "185461-95-4", "78590-82-6", "8047-36-7", "56592-00-8", "8050-42-8", "1314-13-2", "8011-84-5", "8047-69-6" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "oxozinc" }, "rdfs:seeAlso": { "@id": "compound:14806" }, "dbo:formula": "OZn", "dbo:pubchem": { "@value": "14806", "@type": "xsd:int" }, "dbp:inchikey": "XLOMVQKBTHCTTD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/O.Zn", "skos:prefLabel": { "@language": "nl", "@value": "zinkoxide" }, "dbo:smiles": "O=[Zn]", "skos:notation": "ZnO", "skos:broader": { "@id": "csc:CHEMONTID_0000538" } }, { "@id": "csc:YGDPIDTZOQGPAX-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C12HCl9/c13-2-1-3(14)6(15)7(16)4(2)5-8(17)10(19)12(21)11(20)9(5)18/h1H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "YGDPIDTZOQGPAX-UHFFFAOYSA-N", "skos:notation": "PCB207", "dbo:casNumber": "52663-79-3", "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,3',4,4',5,6,6'-nonachloorbifenyl" }, "rdfs:seeAlso": { "@id": "compound:91648" }, "dbo:pubchem": { "@value": "91648", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentachloro-6-(2,3,4,6-tetrachlorophenyl)benzene" }, "dbo:formula": "C12HCl9", "skos:broader": { "@id": "csc:CHEMONTID_0003030" } }, { "@id": "csc:UIWYJDYFSGRHKR-UHFFFAOYSA-N", "dbp:inchikey": "UIWYJDYFSGRHKR-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:23982" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Gd", "skos:prefLabel": { "@language": "nl", "@value": "gadolinium" }, "dbo:casNumber": [ "110123-54-1", "87677-94-9", "7440-54-2" ], "dbo:smiles": "[Gd]", "dbo:pubchem": { "@value": "23982", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:inchi": "InChI=1S/Gd", "dbo:iupacName": { "@language": "en", "@value": "GADOLINIUM" }, "dbo:formula": "Gd" }, { "@id": "csc:OCDAWJYGVOLXGZ-VPVMAENOSA-K", "dbo:iupacName": { "@language": "en", 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"InChI=1S/C24H50O12/c25-7-1-13-31-19-21(33-15-3-9-27)23(35-17-5-11-29)24(36-18-6-12-30)22(34-16-4-10-28)20-32-14-2-8-26/h21-30H,1-20H2", "rdfs:seeAlso": { "@id": "compound:171178" }, "dbo:smiles": "C(CO)COCC(C(C(C(COCCCO)OCCCO)OCCCO)OCCCO)OCCCO", "dbo:pubchem": { "@value": "171178", "@type": "xsd:int" }, "dbo:formula": "C24H50O12", "skos:altLabel": { "@language": "nl", "@value": "D-glucitol, gepropoxyleerd" }, "dbp:inchikey": "OJZGCEDLMNSDNY-UHFFFAOYSA-N" }, { "@id": "csc:DFZSBQYOXAUYCB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-methyl-5-nitrobenzene-1,3-diamine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "DFZSBQYOXAUYCB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:96177" }, "dbo:formula": "C7H9N3O2", "dbo:inchi": "InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "2,4-diamino-6-nitrotolueen" }, "dbo:casNumber": "6629-29-4", "dbo:pubchem": { "@value": "96177", "@type": "xsd:int" }, "dbo:smiles": "CC1=C(C=C(C=C1[N+](=O)[O-])N)N", "skos:notation": "24DAo6NO2Tol" }, { "@id": "csc:USBWBBAUWVUJLA-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000188" }, "dbo:inchi": "InChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3", "dbo:iupacName": { "@language": "en", "@value": "N-ethyl-1-(4-methoxyphenyl)propan-2-amine" }, "dbp:inchikey": "USBWBBAUWVUJLA-UHFFFAOYSA-N", "skos:notation": "mebvrnAm", "dbo:casNumber": "14367-46-5", "dbo:pubchem": { "@value": "85725", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:85725" }, "dbo:formula": "C12H19NO", "skos:prefLabel": { "@language": "nl", "@value": "mebeverine amine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCNC(C)CC1=CC=C(C=C1)OC" }, { 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"dbo:formula": "C9H13N", "skos:prefLabel": { "@language": "nl", "@value": "3,4,5-trimethylaniline" }, "dbo:smiles": "CC1=CC(=CC(=C1C)C)N", "dbo:inchi": "InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3", "skos:notation": "345TC1yAn" }, { "@id": "csc:OACYKCIZDVVNJL-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "61209", "@type": "xsd:int" }, "dbo:smiles": "CC1CCC(=O)C1=O", "skos:prefLabel": { "@language": "nl", "@value": "3-methyl-1,2-cyclopentaandion" }, "dbo:casNumber": [ "765-70-8", "79299-96-0" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "3-Methylcyclopentane-1,2-dione" }, "rdfs:seeAlso": { "@id": "compound:61209" }, "dbo:formula": "C6H8O2", "skos:notation": "3C1y12ccC5aD", "dbo:inchi": "InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3", "skos:broader": { "@id": "csc:CHEMONTID_0003487" }, "dbp:inchikey": "OACYKCIZDVVNJL-UHFFFAOYSA-N" }, { "@id": "csc:PALAXWMMBSLIDB-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H6Br4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:3017170" }, "dbo:formula": "C12H6Br4", "skos:prefLabel": { "@language": "nl", "@value": "2,2',4,5'-tetrabroombifenyl" }, "dbo:smiles": "C1=CC=C(C(=C1)C2=CC(=C(C=C2Br)Br)Br)Br", "dbo:casNumber": "60044-24-8", "dbo:pubchem": { "@value": "3017170", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4-tribromo-5-(2-bromophenyl)benzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0003954" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "PALAXWMMBSLIDB-UHFFFAOYSA-N", "skos:notation": "PBB49" }, { "@id": "csc:UBCKGWBNUIFUST-BJMVGYQFSA-N", "skos:notation": [ "T4Clvfs", "cT4Clvfs" ], "dbo:inchi": "InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+", "dbo:iupacName": { "@language": "en", "@value": "[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:altLabel": [ { "@language": "nl", "@value": "tetrachloorvinfos" }, { "@language": "nl", "@value": "cis-tetrachloorvinfos (z-isomeer)" }, { "@language": "nl", "@value": "cis-tetrachloorvinfos (Z-isomeer)" } ], "dbo:formula": "C10H9Cl4O4P", "dbo:casNumber": [ "961-11-5", "22248-79-9" ], "dbp:inchikey": "UBCKGWBNUIFUST-BJMVGYQFSA-N", "skos:prefLabel": { "@language": "nl", "@value": "tetrachloorvinfos (mixed isomeren)" }, "rdfs:seeAlso": { "@id": "compound:5842000" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0000037" }, "dbo:pubchem": { "@value": "5842000", "@type": "xsd:int" } }, { "@id": "csc:GWEVSGVZZGPLCZ-UHFFFAOYSA-N", "dbo:casNumber": [ "12000-59-8", "116788-85-3", "188357-79-1", "12036-20-3", "12767-65-6", 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"en", "@value": "2-hydroxypropanoic acid" }, "dbo:inchi": "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)", "dbp:inchikey": "JVTAAEKCZFNVCJ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "melkzuur" }, "skos:notation": "melkzr" }, { "@id": "csc:VEENJGZXVHKXNB-VOTSOKGWSA-N", "dbo:pubchem": { "@value": "5371560", "@type": "xsd:int" }, "dbo:casNumber": [ "141-66-2", "3735-78-2" ], "dbo:formula": "C8H16NO5P", "skos:broader": { "@id": "csc:CHEMONTID_0003459" }, "skos:notation": "Dctfs", "skos:prefLabel": { "@language": "nl", "@value": "dicrotofos" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:5371560" }, "dbp:inchikey": "VEENJGZXVHKXNB-VOTSOKGWSA-N", "dbo:inchi": "InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(=CC(=O)N(C)C)OP(=O)(OC)OC", "dbo:iupacName": { "@language": "en", "@value": "['(4-dimethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '[(E)-4-dimethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate']" } }, { "@id": "csc:PESKGJQREUXSRR-JDIFZLMISA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "5bcholet3on", "dbo:smiles": "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C", "dbo:formula": "C27H46O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001469" }, "rdfs:seeAlso": { "@id": "compound:92132" }, "dbp:inchikey": "PESKGJQREUXSRR-JDIFZLMISA-N", "dbo:iupacName": { "@language": "en", "@value": "(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one" }, "dbo:inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1", "dbo:pubchem": { "@value": "92132", 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"nl", "@value": "chloortrimethylbenzeen" }, "dbo:smiles": "CC1=CC(=C(C(=C1)C)Cl)C", "dbo:casNumber": "1667-04-5", "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbp:inchikey": "WDZACGWEPQLKOM-UHFFFAOYSA-N", "dbo:formula": "C9H11Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2-CHLORO-1,3,5-TRIMETHYLBENZENE" }, "rdfs:seeAlso": { "@id": "compound:15462" }, "skos:notation": "ClTC1yBen", "dbo:pubchem": { "@value": "15462", "@type": "xsd:int" } }, { "@id": "csc:DEDOPGXGGQYYMW-UHFFFAOYSA-N", "dbo:formula": "C9H17NOS", "skos:notation": "molnt", "dbo:smiles": "CCSC(=O)N1CCCCCC1", "dbp:inchikey": "DEDOPGXGGQYYMW-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "16653", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": 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"@type": "xsd:int" }, "dbp:inchikey": "NNMHYFLPFNGQFZ-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "polyacrylaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0004451" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "polaclt", "rdfs:seeAlso": { "@id": "compound:24013" }, "dbo:iupacName": { "@language": "en", "@value": "sodium prop-2-enoate" }, "dbo:formula": "C3H3NaO2", "dbo:smiles": "C=CC(=O)[O-].[Na+]" }, { "@id": "csc:WBPYTXDJUQJLPQ-VMXQISHHSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC", "dbo:inchi": "InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1", "dbo:formula": "C46H77NO17", "rdfs:seeAlso": { "@id": "compound:5280440" }, "skos:notation": "tylsne", "skos:broader": { "@id": "csc:CHEMONTID_0000282" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde" }, "skos:prefLabel": { 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{ "@value": "60846", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:60846" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:YLYBTZIQSIBWLI-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8164" }, "dbo:iupacName": { "@language": "en", "@value": "Octyl acetate" }, "dbp:inchikey": "YLYBTZIQSIBWLI-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "octylacetaat" }, "skos:notation": "C8yactt", "dbo:formula": "C10H20O2", "skos:broader": { "@id": "csc:CHEMONTID_0001722" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3", "dbo:casNumber": "112-14-1", "dbo:smiles": "CCCCCCCCOC(=O)C", "dbo:pubchem": { "@value": "8164", "@type": "xsd:int" } }, { "@id": "csc:XKJCHHZQLQNZHY-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": 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"csc:CHEMONTID_0003370" }, "rdfs:seeAlso": { "@id": "compound:2272" }, "dbo:pubchem": { "@value": "2272", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C12H10N2" }, { "@id": "csc:ZHTROMYSDSTCCE-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C16H18/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3", "dbp:inchikey": "ZHTROMYSDSTCCE-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC(=C(C=C1)C)C2=C(C=CC(=C2)C)C", "dbo:pubchem": { "@value": "137818", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000041" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2,5-dimethylphenyl)-1,4-dimethylbenzene" }, "skos:notation": "2255T4C1y11b", "dbo:formula": "C16H18", "skos:prefLabel": { "@language": "nl", "@value": "2,2',5,5'-tetramethyl-1,1'-bifenyl" }, "dbo:casNumber": "3075-84-1", "rdfs:seeAlso": { "@id": "compound:137818" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } 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"141631-77-8" ], "dbo:smiles": "[Zr]", "rdfs:seeAlso": { "@id": "compound:23995" }, "dbo:iupacName": { "@language": "en", "@value": "ZIRCONIUM" }, "skos:notation": "Zr", "dbp:inchikey": "QCWXUUIWCKQGHC-UHFFFAOYSA-N" }, { "@id": "csc:WPYCRFCQABTEKC-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane" }, "skos:notation": "DGRE", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:7586" }, "dbo:casNumber": [ "101-90-6", "168331-52-0" ], "dbo:formula": "C12H14O4", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:altLabel": { "@language": "nl", "@value": "diglycidyl resorcinol ether (DGRE)" }, "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "skos:prefLabel": { "@language": "nl", "@value": "diglycidyl resorcinol ether (dgre)" }, "dbp:inchikey": "WPYCRFCQABTEKC-UHFFFAOYSA-N", "dbo:smiles": "C1C(O1)COC2=CC(=CC=C2)OCC3CO3", "dbo:pubchem": { "@value": "7586", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2" }, { "@id": "csc:SIDINRCMMRKXGQ-UHFFFAOYSA-N", "dbo:smiles": "C(=O)(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O", "skos:notation": [ "PFUnDA", "PFUdA" ], "skos:altLabel": [ { "@language": "nl", "@value": "perfluor-n-undecaanzuur (pfunda)" }, { "@language": "nl", "@value": "perfluorundecaanzuur (pfunda)" }, { "@language": "nl", "@value": "perfluorundecaanzuur" } ], "dbp:inchikey": "SIDINRCMMRKXGQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "77222", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003962" }, "dbo:casNumber": "2058-94-8", "dbo:iupacName": { "@language": "en", "@value": "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoic acid" }, "rdfs:seeAlso": { "@id": "compound:77222" }, "dbo:inchi": "InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)", "skos:prefLabel": { "@language": "nl", "@value": "perfluor-n-undecaanzuur" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C11HF21O2" }, { "@id": "csc:KFAKZJUYBOYVKA-UHFFFAOYSA-N", "dbo:smiles": "CC1=C(C=CC(=C1)Cl)Cl", "skos:notation": "25DClTol", "skos:prefLabel": { "@language": "nl", "@value": "2,5-dichloortolueen" }, "dbp:inchikey": "KFAKZJUYBOYVKA-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:29572" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "29572", "@type": "xsd:int" }, "dbo:formula": "C7H6Cl2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:inchi": "InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3", "dbo:casNumber": "19398-61-9", "dbo:iupacName": { "@language": "en", "@value": "1,4-dichloro-2-methylbenzene" } }, { "@id": "csc:SUPCQIBBMFXVTL-UHFFFAOYSA-N", "dbp:inchikey": "SUPCQIBBMFXVTL-UHFFFAOYSA-N", "skos:notation": "C2ymtclt", "dbo:casNumber": [ "9003-42-3", "133775-64-1", "179799-95-2", "137431-11-9", "61584-93-8", "128440-92-6", "187170-02-1", "97-63-2" ], "rdfs:seeAlso": { "@id": "compound:7343" }, "dbo:inchi": "InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "CCOC(=O)C(=C)C", "skos:broader": { "@id": "csc:CHEMONTID_0003626" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "ethylmethacrylaat" }, "dbo:iupacName": { "@language": "en", "@value": "ethyl 2-methylprop-2-enoate" }, "skos:altLabel": { "@language": "nl", "@value": "ethylmetacrylaat" }, "dbo:formula": "C6H10O2", "dbo:pubchem": { "@value": "7343", "@type": "xsd:int" } }, { "@id": "csc:YYGNTYWPHWGJRM-AAJYLUCBSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001553" }, "dbo:pubchem": { "@value": "638072", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+", "dbo:casNumber": [ "94016-35-0", "111-02-4", "7683-64-9" ], "skos:prefLabel": { "@language": "nl", "@value": "squaleen" }, "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', '(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene']" }, "rdfs:seeAlso": { "@id": "compound:638072" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C30H50", "skos:notation": "squaln", "dbo:smiles": "CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C", "dbp:inchikey": "YYGNTYWPHWGJRM-AAJYLUCBSA-N" }, { "@id": "csc:WMIYKQLTONQJES-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "hexafluorethaan" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C(C(F)(F)F)(F)(F)F", "dbo:casNumber": "76-16-4", "rdfs:seeAlso": { "@id": "compound:6431" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,1,2,2,2-hexafluoroethane" }, "skos:altLabel": { "@language": "nl", "@value": "perfluorethaan" }, "dbp:inchikey": "WMIYKQLTONQJES-UHFFFAOYSA-N", "skos:definition": { "@language": "nl", "@value": "Hexafluorethaan is een kleurloos, geurloos gas. Het is relatief inert. Het mengsel is niet ontvlambaar en niet giftig, hoewel verstikking kan optreden als gevolg van verdringing van zuurstof. Bij langdurige blootstelling aan vuur of intense hitte kunnen de containers met geweld scheuren en wegschieten." }, "dbo:inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8", "skos:notation": "C2F6", "dbo:formula": "C2F6", "dbo:pubchem": { "@value": "6431", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" } }, { "@id": "csc:WOZQBERUBLYCEG-UHFFFAOYSA-N", "dbo:formula": "C8H7Cl2NO2", "rdfs:seeAlso": { "@id": "compound:15969" }, "skos:prefLabel": { "@language": "nl", "@value": "swep" }, "dbp:inchikey": "WOZQBERUBLYCEG-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "15969", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)", "dbo:iupacName": { "@language": "en", "@value": "Methyl N-(3,4-dichlorophenyl)carbamate" }, "dbo:smiles": "COC(=O)NC1=CC(=C(C=C1)Cl)Cl", "skos:notation": "swep", "dbo:casNumber": "1918-18-9", "skos:broader": { "@id": "csc:CHEMONTID_0004714" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:TUAHORSUHVUKBD-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Benzo[c]phenanthrene" }, "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "rdfs:seeAlso": { "@id": "compound:9136" }, "dbp:inchikey": "TUAHORSUHVUKBD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "benzo(c)fenantreen" }, "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3", "skos:notation": "BcFen", "dbo:formula": "C18H12", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "9136", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H", "dbo:casNumber": "195-19-7" }, { "@id": "csc:UZVHFVZFNXBMQJ-UHFFFAOYSA-N", "dbo:formula": "C11H16N2O3", "dbo:smiles": "CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C", "skos:notation": "butbtl", "dbo:casNumber": "77-26-9", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "butalbital" }, "rdfs:seeAlso": { "@id": "compound:2481" }, "dbo:iupacName": { "@language": "en", "@value": "5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione" }, "skos:broader": { "@id": "csc:CHEMONTID_0000292" }, "dbp:inchikey": "UZVHFVZFNXBMQJ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "2481", "@type": "xsd:int" }, "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)" }, { "@id": "csc:QGHREAKMXXNCOA-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:pubchem": { "@value": "3085", "@type": "xsd:int" }, "dbo:casNumber": [ "23564-05-8", "50814-12-5" ], "dbo:inchi": "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)", "dbo:formula": "C12H14N4O4S2", "dbp:inchikey": "QGHREAKMXXNCOA-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "thiofanaat-methyl" }, "rdfs:seeAlso": { "@id": "compound:3085" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "tofnC1y", "dbo:iupacName": { "@language": "en", "@value": "methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate" }, "dbo:smiles": "COC(=O)N=C(NC1=CC=CC=C1NC(=NC(=O)OC)S)S" }, { "@id": "csc:ZKRSTHSWOFIHMZ-UHFFFAOYSA-N", "dbp:inchikey": "ZKRSTHSWOFIHMZ-UHFFFAOYSA-N", "dbo:formula": "C7H2Cl6", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5,6-hexachlorobicyclo[2.2.1]hepta-2,5-diene" }, "dbo:smiles": "C1C2(C(=C(C1(C(=C2Cl)Cl)Cl)Cl)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:3036943" }, "dbo:inchi": "InChI=1S/C7H2Cl6/c8-2-3(9)7(13)1-6(2,12)4(10)5(7)11/h1H2", "dbo:pubchem": { "@value": "3036943", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "hexachloor-biclyclo(2,2,1)-2,5-heptadieen" }, "skos:notation": "HxClbcc22125", "dbo:casNumber": "28680-44-6" }, { "@id": "csc:OKOCIUJVPQKDLL-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "N-(carboxymethyl)-N,N-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide" }, "dbo:pubchem": { "@value": "118691", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azaniumyl]acetate" }, "skos:notation": "Capstone B (CDPOS)", "rdfs:seeAlso": { "@id": "compound:118691" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002404" }, "dbo:casNumber": "34455-29-3", "dbo:smiles": "C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-]", "dbo:inchi": "InChI=1S/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3", "dbo:formula": "C15H19F13N2O4S", "skos:altLabel": { "@language": "nl", "@value": "n-(carboxymethyl)-n,n-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide" }, "dbp:inchikey": "OKOCIUJVPQKDLL-UHFFFAOYSA-N" }, { "@id": "csc:WABPQHHGFIMREM-AKLPVKDBSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "dbo:formula": "Pb", "dbo:iupacName": { "@language": "en", "@value": "lead-210" }, "dbo:inchi": "InChI=1S/Pb/i1+3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "lood 210" }, "dbo:smiles": "[Pb]", 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"[\"(E)-N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine\", \"N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine\"]" }, "skos:notation": "E-nitprm", "dbo:inchi": "InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+", "rdfs:seeAlso": { "@id": "compound:3034287" }, "dbo:casNumber": "150824-47-8", "dbp:inchikey": "CFRPSFYHXJZSBI-DHZHZOJOSA-N" }, { "@id": "csc:HECLRDQVFMWTQS-UHFFFAOYSA-N", "dbo:casNumber": [ "25038-78-2", "54335-17-0", "60328-38-3", "77-73-6", "1755-01-7", "151065-56-4", "45737-84-6", "107760-16-7" ], "dbp:inchikey": "HECLRDQVFMWTQS-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "dicyclopentadieen" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "6492", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004149" }, "skos:notation": "DccPeDen", "dbo:inchi": 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"xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate" }, "dbp:inchikey": "TZIZWYVVGLXXFV-FLRHRWPCSA-N", "skos:prefLabel": { "@language": "nl", "@value": "triamcinolonehexacetonide" }, "rdfs:seeAlso": { "@id": "compound:21826" } }, { "@id": "csc:ATCRIUVQKHMXSH-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0002611" }, "dbp:inchikey": "ATCRIUVQKHMXSH-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:5787" }, "dbo:pubchem": { "@value": "5787", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)C(=O)O", "dbo:formula": "C7H4Cl2O2", "dbo:iupacName": { "@language": "en", "@value": "2,4-Dichlorobenzoic acid" }, "dbo:casNumber": "50-84-0", "skos:prefLabel": { "@language": "nl", "@value": "2,4-dichloorbenzoezuur" }, "skos:notation": "24DClbenzzr" }, { "@id": "csc:NTJOBXMMWNYJFB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "2159", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001917" }, "dbo:smiles": "CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC", "dbo:inchi": "InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)", "skos:prefLabel": { "@language": "nl", "@value": "amisulpride" }, "dbp:inchikey": "NTJOBXMMWNYJFB-UHFFFAOYSA-N", "skos:notation": "amspde", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C17H27N3O4S", "rdfs:seeAlso": { "@id": "compound:2159" }, "dbo:casNumber": "71675-85-9" }, { "@id": "csc:GUTLYIVDDKVIGB-YPZZEJLDSA-N", "dbo:smiles": "[Co]", "skos:prefLabel": { "@language": "nl", "@value": "kobalt 57" }, "dbo:inchi": "InChI=1S/Co/i1-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Co57", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "cobalt-57" }, "dbp:inchikey": "GUTLYIVDDKVIGB-YPZZEJLDSA-N", "dbo:formula": "Co", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:casNumber": "13981-50-5", "dbo:pubchem": { "@value": "104851", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:104851" } }, { "@id": "csc:MKIMSXGUTQTKJU-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "MKIMSXGUTQTKJU-UHFFFAOYSA-N", "skos:notation": [ "propmcb", "propmcbHCl" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:altLabel": { "@language": "nl", "@value": "propamocarb" }, "dbo:iupacName": { "@language": "en", "@value": "dimethyl-[3-(propoxycarbonylamino)propyl]azanium chloride" }, "rdfs:seeAlso": { "@id": "compound:33112" }, "dbo:formula": "C9H21ClN2O2", "skos:prefLabel": { "@language": "nl", "@value": "propamocarb hydrochloride" }, "dbo:pubchem": { "@value": "33112", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H", "dbo:casNumber": [ "24579-73-5", "25606-41-1" ], "skos:broader": { "@id": "csc:CHEMONTID_0002239" }, "dbo:smiles": "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" }, { "@id": "csc:LWLJUMBEZJHXHV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "LWLJUMBEZJHXHV-UHFFFAOYSA-N", "dbo:formula": "C10Cl10", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "dienochloor" }, "dbo:smiles": "C1(=C(C(C(=C1Cl)Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachloro-1-cyclopenta-2,4-dienyl)cyclopenta-1,3-diene" }, "dbo:pubchem": { "@value": "16686", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:16686" }, "dbo:casNumber": "2227-17-0", "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "dbo:inchi": "InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18", "skos:notation": "DenCl" }, { "@id": "csc:VBJZVLUMGGDVMO-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "Hf", "dbo:smiles": "[Hf]", "rdfs:seeAlso": { "@id": "compound:23986" }, "skos:prefLabel": { "@language": "nl", "@value": "hafnium" }, "skos:notation": "Hf", "dbo:pubchem": { "@value": "23986", "@type": "xsd:int" }, "dbo:casNumber": [ "412316-00-8", "7440-58-6" ], "dbo:iupacName": { "@language": "en", "@value": "HAFNIUM" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:inchi": "InChI=1S/Hf", "dbp:inchikey": "VBJZVLUMGGDVMO-UHFFFAOYSA-N" }, { "@id": "csc:HCJLVWUMMKIQIM-UHFFFAOYSA-M", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "sodium 2,3,4,5,6-pentachlorophenolate" }, "skos:notation": "NaPeClfnt", "dbo:formula": "C6Cl5NaO", "dbo:pubchem": { "@value": "8568", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:8568" }, "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbo:inchi": "InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1", "skos:prefLabel": { "@language": "nl", "@value": "natriumpentachloorfenaat" }, "dbo:smiles": "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]", "dbp:inchikey": "HCJLVWUMMKIQIM-UHFFFAOYSA-M", "dbo:casNumber": "131-52-2" }, { "@id": "csc:IDOWTHOLJBTAFI-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate" }, "skos:prefLabel": { "@language": "nl", "@value": "fenmedifam" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004714" }, "rdfs:seeAlso": { "@id": "compound:24744" }, "dbo:inchi": "InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)", "dbo:smiles": "CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC", "dbo:casNumber": "13684-63-4", "dbo:pubchem": { "@value": "24744", "@type": "xsd:int" }, "dbo:formula": "C16H16N2O4", "skos:notation": "fenmdfm", "dbp:inchikey": "IDOWTHOLJBTAFI-UHFFFAOYSA-N" }, { "@id": "csc:CMGDVUCDZOBDNL-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "122499", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:altLabel": { "@language": "nl", "@value": "4-methyl-1H-benzotriazool" }, "dbo:smiles": "CC1=CC=CC2=NNN=C12", "skos:notation": [ "4C1y1Hbztazl", "C1y1Hbztazl" ], "skos:broader": { "@id": "csc:CHEMONTID_0000315" }, "dbo:iupacName": { "@language": "en", "@value": "4-methyl-2H-benzotriazole" }, "rdfs:seeAlso": { "@id": "compound:122499" }, "dbo:formula": "C7H7N3", "dbo:inchi": "InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)", "dbo:casNumber": [ "29385-43-1", "29878-31-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "methyl-1H-benzotriazool" }, "dbp:inchikey": "CMGDVUCDZOBDNL-UHFFFAOYSA-N" }, { "@id": "csc:ZAGRQXMWMRUYRB-UHFFFAOYSA-N", "skos:notation": "PCB160", "dbo:casNumber": [ "41411-62-5", "74472-44-9" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "ZAGRQXMWMRUYRB-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "rdfs:seeAlso": { "@id": "compound:63079" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4,5-tetrachloro-3-(3,4-dichlorophenyl)benzene" }, "dbo:pubchem": { "@value": "63079", "@type": "xsd:int" }, "dbo:formula": "C12H4Cl6", "dbo:smiles": "C1=CC(=C(C=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl", "dbo:inchi": "InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-11(17)8(15)4-9(16)12(10)18/h1-4H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,3',4,5,6-hexachloorbifenyl" } }, { "@id": "csc:WSPOMRSOLSGNFJ-AUWJEWJLSA-N", "skos:notation": "Clptxne", "dbo:casNumber": "113-59-7", "dbo:formula": "C18H18ClNS", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000199" }, "skos:prefLabel": { "@language": "nl", "@value": "chloorprothixene" }, "dbo:smiles": "CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "667467", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-", "dbp:inchikey": "WSPOMRSOLSGNFJ-AUWJEWJLSA-N", "dbo:iupacName": { "@language": "en", "@value": "(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine" }, "rdfs:seeAlso": { "@id": "compound:667467" } }, { "@id": "csc:MTVNAPYHLASOSX-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:606997" }, "dbo:pubchem": { "@value": "606997", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "19814-75-6", "skos:notation": "99DC1yxtn", "skos:prefLabel": { "@language": "nl", "@value": "9,9-dimethylxantheen" }, "dbp:inchikey": "MTVNAPYHLASOSX-UHFFFAOYSA-N", "dbo:formula": "C15H14O", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "CC1(C2=CC=CC=C2OC3=CC=CC=C31)C", "dbo:iupacName": { "@language": "en", "@value": "9,9-Dimethylxanthene" }, "dbo:inchi": "InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3", "skos:broader": { "@id": "csc:CHEMONTID_0000200" } }, { "@id": "csc:VXQBJTKSVGFQOL-UHFFFAOYSA-N", "dbo:formula": "C10H20O4", "dbo:iupacName": { "@language": "en", "@value": "2-(2-Butoxyethoxy)ethyl acetate" }, "skos:notation": "22C4oxC2ox02", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "VXQBJTKSVGFQOL-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "31288", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2-(2-butoxyethoxy)ethylacetaat" }, "dbo:casNumber": [ "124-17-4", "98100-70-0" ], "dbo:inchi": "InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3", "rdfs:seeAlso": { "@id": "compound:31288" }, "dbo:smiles": "CCCCOCCOCCOC(=O)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001238" } }, { "@id": "csc:NJCBUSHGCBERSK-UHFFFAOYSA-N", "skos:definition": { "@language": "nl", "@value": "Dodecafluorpentaan is pentaan waarin alle waterstofatomen zijn vervangen door fluorverbindingen. Het is een fluorkoolstof en een fluoralkaan. Het is afgeleid van een hydride van een pentaan." }, "dbp:inchikey": "NJCBUSHGCBERSK-UHFFFAOYSA-N", "dbo:casNumber": "678-26-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:altLabel": { "@language": "nl", "@value": "perfluorpentaan" }, "dbo:formula": "C5F12", "dbo:inchi": "InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17", "rdfs:seeAlso": { "@id": "compound:12675" }, "dbo:pubchem": { "@value": "12675", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane" }, "skos:notation": "C5F12", "dbo:smiles": "C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F", "skos:prefLabel": { "@language": "nl", "@value": "dodecafluorpentaan" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" } }, { "@id": "csc:OKBJVIVEFXPEOU-UHFFFAOYSA-N", "dbo:formula": "C12H4Cl6", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": 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{ "@id": "csc:DKYWVDODHFEZIM-UHFFFAOYSA-N", "dbo:casNumber": [ "22071-15-4", "172964-50-0", "22161-86-0" ], "dbo:iupacName": { "@language": "en", "@value": "2-[3-(benzoyl)phenyl]propanoic acid" }, "dbo:formula": "C16H14O3", "skos:broader": { "@id": "csc:CHEMONTID_0000120" }, "skos:prefLabel": { "@language": "nl", "@value": "ketoprofen" }, "dbp:inchikey": "DKYWVDODHFEZIM-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "ketpfn", "rdfs:seeAlso": { "@id": "compound:3825" }, "dbo:pubchem": { "@value": "3825", "@type": "xsd:int" }, "dbo:smiles": "CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O", "dbo:inchi": "InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:WQOXQRCZOLPYPM-UHFFFAOYSA-N", "dbp:inchikey": "WQOXQRCZOLPYPM-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004089" }, "dbo:iupacName": { "@language": "en", 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"dbo:formula": "C17H28", "dbo:iupacName": { "@language": "en", "@value": "undecan-3-ylbenzene" }, "dbo:smiles": "CCCCCCCCC(CC)C1=CC=CC=C1", "skos:prefLabel": { "@language": "nl", "@value": "(1-ethylnonyl)-benzeen" }, "dbo:casNumber": "4536-87-2" }, { "@id": "csc:IZEZAMILKKYOPW-UHFFFAOYSA-N", "dbo:casNumber": "2683-43-4", "dbo:inchi": "InChI=1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2", "rdfs:seeAlso": { "@id": "compound:75893" }, "dbo:pubchem": { "@value": "75893", "@type": "xsd:int" }, "dbp:inchikey": "IZEZAMILKKYOPW-UHFFFAOYSA-N", "dbo:formula": "C6H4Cl2N2O2", "dbo:iupacName": { "@language": "en", "@value": "2,4-Dichloro-6-nitroaniline" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)Cl", "skos:prefLabel": { "@language": "nl", "@value": "2,4-dichloor-6-nitroaniline" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "skos:notation": 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"[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:altLabel": { "@language": "nl", "@value": "spiramycine II" }, "skos:broader": { "@id": "csc:CHEMONTID_0000282" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C45H76N2O15", "dbo:pubchem": { "@value": "5282173", "@type": "xsd:int" }, "skos:notation": "spirmcII", "dbo:smiles": "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C", "dbp:inchikey": "ZPCCSZFPOXBNDL-RSMXASMKSA-N", "skos:prefLabel": { "@language": "nl", "@value": "spiramycine ii" }, "rdfs:seeAlso": { "@id": "compound:5282173" } }, { "@id": 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"115-19-5" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(C)(C#C)O", "skos:prefLabel": { "@language": "nl", "@value": "2-methyl-3-butyn-2-ol" }, "dbo:iupacName": { "@language": "en", "@value": "2-Methylbut-3-yn-2-ol" }, "dbo:inchi": "InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3", "skos:notation": "2C1y3C4yn2ol" }, { "@id": "csc:ZSIAUFGUXNUGDI-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8103" }, "dbo:casNumber": [ "25917-35-5", "111-27-3", "220713-27-9" ], "skos:prefLabel": { "@language": "nl", "@value": "1-hexanol" }, "dbo:inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3", "dbo:smiles": "CCCCCCO", "skos:broader": { "@id": "csc:CHEMONTID_0001334" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "HEXAN-1-OL" }, "dbo:formula": "C6H14O", "dbp:inchikey": "ZSIAUFGUXNUGDI-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "8103", "@type": "xsd:int" }, 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"dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "['(8E,10E)-dodeca-8,10-dien-1-ol', 'dodeca-8,10-dien-1-ol']" }, "skos:notation": "codlmn", "rdfs:seeAlso": { "@id": "compound:1787910" }, "dbo:inchi": "InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+", "dbo:casNumber": [ "33956-49-9", "76600-88-9" ], "dbo:formula": "C12H22O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "codlemon" }, "dbo:smiles": "CC=CC=CCCCCCCCO", "dbp:inchikey": "CSWBSLXBXRFNST-MQQKCMAXSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001334" }, "dbo:pubchem": { "@value": "1787910", "@type": "xsd:int" } }, { "@id": "csc:SYQBFIAQOQZEGI-FTXFMUIASA-N", "dbo:inchi": "InChI=1S/Os/i1-5", "skos:prefLabel": { "@language": "nl", "@value": "osmium 185" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:smiles": "[Os]", 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"trans-deltamethrin" }, "skos:broader": { "@id": "csc:CHEMONTID_0001461" }, "dbp:inchikey": "OWZREIFADZCYQD-DXCJPMOASA-N" }, { "@id": "csc:QTTRZHGPGKRAFB-PAIWTFDUSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "(10R,11S,13S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one" }, "skos:notation": "rimoln", "dbo:formula": "C24H34O3", "skos:prefLabel": { "@language": "nl", "@value": "rimexolon" }, "dbo:casNumber": "49697-38-3", "dbp:inchikey": "QTTRZHGPGKRAFB-PAIWTFDUSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003058" }, "dbo:pubchem": { "@value": "39507", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17?,18?,19+,21?,22+,23+,24-/m1/s1", "dbo:smiles": "CCC(=O)C1(C(CC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C)C", "rdfs:seeAlso": { "@id": "compound:39507" } }, { "@id": "csc:OHMHBGPWCHTMQE-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "skos:notation": "HCFK123", "rdfs:seeAlso": { "@id": "compound:9385" }, "dbo:casNumber": "306-83-2", "skos:prefLabel": { "@language": "nl", "@value": "2,2-dichloor-1,1,1-trifluorethaan" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C2HCl2F3", "dbo:smiles": "C(C(F)(F)F)(Cl)Cl", "dbp:inchikey": "OHMHBGPWCHTMQE-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "9385", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H", "dbo:iupacName": { "@language": "en", "@value": "2,2-DICHLORO-1,1,1-TRIFLUOROETHANE" } }, { "@id": "csc:MLKCGVHIFJBRCD-UHFFFAOYSA-N", "dbo:casNumber": "128639-02-1", "rdfs:seeAlso": { "@id": "compound:86222" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0003314" }, "dbo:iupacName": { "@language": "en", "@value": "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" }, "dbp:inchikey": "MLKCGVHIFJBRCD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3", "dbo:formula": "C15H14Cl2F3N3O3", "skos:notation": "carftznC2y", "skos:prefLabel": { "@language": "nl", "@value": "carfentrazon-ethyl" }, "dbo:smiles": "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl", "dbo:pubchem": { "@value": "86222", "@type": "xsd:int" } }, { "@id": "csc:LMCOQDVJBWVNNI-UHFFFAOYSA-N", "dbo:formula": "C7H7ClO2S", "dbo:smiles": "CS(=O)(=O)C1=CC=C(C=C1)Cl", "dbo:iupacName": { "@language": "en", "@value": "1-chloro-4-methylsulfonylbenzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "98-57-7", "rdfs:seeAlso": { "@id": "compound:7395" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:notation": "1Cl4C1ysfnBe", "dbp:inchikey": "LMCOQDVJBWVNNI-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7395", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004233" }, "skos:prefLabel": { "@language": "nl", "@value": "1-chloor-4-(methylsulfonyl)benzeen" }, "dbo:inchi": "InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3" }, { "@id": "csc:JCVAWLVWQDNEGS-UHFFFAOYSA-N", "dbo:formula": "C10H25NO5S", "dbo:casNumber": "63665-16-7", "dbo:smiles": "CC(CNCC(C)O)O.C1CCS(=O)(=O)C1.O", "skos:altLabel": { "@language": "nl", "@value": "sulfinol D" }, "dbp:inchikey": "JCVAWLVWQDNEGS-UHFFFAOYSA-N", "skos:notation": "sulfnD", "dbo:inchi": "InChI=1S/C6H15NO2.C4H8O2S.H2O/c1-5(8)3-7-4-6(2)9;5-7(6)3-1-2-4-7;/h5-9H,3-4H2,1-2H3;1-4H2;1H2", "dbo:iupacName": { "@language": "en", "@value": "1-(2-hydroxypropylamino)propan-2-ol; thiolane 1,1-dioxide; hydrate" }, "skos:prefLabel": { "@language": "nl", "@value": "sulfinol d" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:190009" }, "dbo:pubchem": { "@value": "190009", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000233" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:NIJJYAXOARWZEE-UHFFFAOYSA-N", "dbp:inchikey": "NIJJYAXOARWZEE-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C8H16O2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "3121", "@type": "xsd:int" }, "dbo:casNumber": [ "117039-65-3", "99-66-1" ], "skos:broader": { "@id": "csc:CHEMONTID_0003544" }, "dbo:inchi": "InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)", "skos:prefLabel": { "@language": "nl", "@value": "valproinezuur" }, "dbo:iupacName": { "@language": "en", "@value": "2-Propylpentanoic acid" }, "rdfs:seeAlso": { "@id": "compound:3121" }, "dbo:smiles": "CCCC(CCC)C(=O)O", "skos:notation": "valpinzr" }, { "@id": "csc:WSSMOXHYUFMBLS-UHFFFAOYSA-L", "dbo:pubchem": { "@value": "26063", "@type": "xsd:int" }, "dbo:smiles": "O.O.O.O.[Cl-].[Cl-].[Fe+2]", "dbo:casNumber": [ "13478-10-9", "7758-94-3" ], "dbp:inchikey": "WSSMOXHYUFMBLS-UHFFFAOYSA-L", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000588" }, "dbo:formula": "Cl2FeH8O4", "rdfs:seeAlso": { "@id": "compound:26063" }, "skos:notation": "FeCl2", "dbo:iupacName": { "@language": "en", "@value": "iron(2+);dichloride;tetrahydrate" }, "skos:altLabel": { "@language": "nl", "@value": "ijzer(II)chloride" }, "skos:prefLabel": { "@language": "nl", "@value": "ijzer(ii)chloride" }, "dbo:inchi": "InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:XJIXIEBYTLLFCV-FAISOMDOSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "C17H31NO12S", "skos:prefLabel": { "@language": "nl", "@value": "morfine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000058" }, "dbo:inchi": "InChI=1S/C17H19NO3.H2O4S.5H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t10-,11+,13-,16-,17-;;;;;;/m0....../s1", "dbo:casNumber": [ "66591-53-5", "57-27-2", "92004-19-8", "6211-15-0" ], "dbp:inchikey": "XJIXIEBYTLLFCV-FAISOMDOSA-N", "skos:notation": "morfne", "rdfs:seeAlso": { "@id": "compound:6436139" }, "dbo:smiles": "CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.O.O.O.O.O.OS(=O)(=O)O", "dbo:pubchem": { "@value": "6436139", "@type": "xsd:int" }, "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" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:JRMUNVKIHCOMHV-UHFFFAOYSA-M", "dbo:casNumber": [ "65129-13-7", "1643-19-2", "65129-09-1" ], "dbo:formula": "C16H36BrN", "skos:prefLabel": { "@language": "nl", "@value": "tetrabutylammonium bromide" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "74236", "@type": "xsd:int" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "tetrabutylazanium bromide" }, "dbo:smiles": "CCCC[N+](CCCC)(CCCC)CCCC.[Br-]", "skos:notation": "T4C4yNH4Br", "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "dbp:inchikey": "JRMUNVKIHCOMHV-UHFFFAOYSA-M", "rdfs:seeAlso": { "@id": "compound:74236" } }, { "@id": "csc:SNMVRZFUUCLYTO-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C3H7Cl", "dbo:smiles": "CCCCl", "dbo:inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "1-chloorpropaan" }, "rdfs:seeAlso": { "@id": "compound:10899" }, "dbo:pubchem": { "@value": "10899", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "1ClC3a", "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbo:iupacName": { "@language": "en", "@value": "1-CHLOROPROPANE" }, "dbo:casNumber": "540-54-5", "dbp:inchikey": "SNMVRZFUUCLYTO-UHFFFAOYSA-N" }, { "@id": "csc:KLGMSAOQDHLCOS-UHFFFAOYSA-N", "dbo:casNumber": "2595-54-2", "dbo:smiles": "CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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", "dbp:inchikey": "KLGMSAOQDHLCOS-UHFFFAOYSA-N", "dbo:formula": "C10H20NO5PS2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:17434" }, "skos:broader": { "@id": "csc:CHEMONTID_0004164" }, "dbo:pubchem": { "@value": "17434", "@type": "xsd:int" }, "skos:notation": "mecbm", "dbo:iupacName": { "@language": "en", "@value": "ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate" }, "skos:prefLabel": { "@language": "nl", "@value": "mecarbam" } }, { "@id": "csc:WRZOMWDJOLIVQP-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "WRZOMWDJOLIVQP-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "5-Chloro-2-methylaniline" }, "skos:prefLabel": { "@language": "nl", "@value": "5-chloor-2-methylaniline" }, "skos:notation": "5Cl2C1yAn", "dbo:formula": "C7H8ClN", "dbo:inchi": "InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3", "dbo:casNumber": "95-79-4", "dbo:smiles": "CC1=C(C=C(C=C1)Cl)N", "rdfs:seeAlso": { "@id": "compound:7260" }, "skos:broader": { "@id": "csc:CHEMONTID_0003964" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "7260", "@type": "xsd:int" } }, { "@id": "csc:LULLIKNODDLMDQ-UHFFFAOYSA-N", "dbo:formula": "As+3", "skos:prefLabel": { "@language": "nl", "@value": "arseen (driewaardig)" }, "skos:notation": "AsIII", "dbo:inchi": "InChI=1S/As/q+3", "dbp:inchikey": "LULLIKNODDLMDQ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:104734" }, "dbo:casNumber": "22541-54-4", "skos:broader": { "@id": "csc:CHEMONTID_0000431" }, "dbo:iupacName": { "@language": "en", "@value": "arsenic(+3) cation" }, "dbo:smiles": "[As+3]", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "104734", "@type": "xsd:int" } }, { "@id": "csc:GSDSWSVVBLHKDQ-UHFFFAOYSA-N", "dbo:casNumber": [ "82419-36-1", "85344-55-4", "83380-47-6" ], "skos:prefLabel": { "@language": "nl", "@value": "ofloxacine" }, "dbp:inchikey": "GSDSWSVVBLHKDQ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O", "dbo:formula": "C18H20FN3O4", "dbo:pubchem": { "@value": "4583", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "ofxcne", "rdfs:seeAlso": { "@id": "compound:4583" }, "dbo:iupacName": { "@language": "en", "@value": "7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid" }, "dbo:inchi": "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)" }, { "@id": "csc:DGAIEPBNLOQYER-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": "73334-07-3", "skos:notation": "jopmde", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003100" }, "dbo:iupacName": { "@language": "en", "@value": "N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N'-methylbenzene-1,3-dicarboxamide" }, "dbo:pubchem": { "@value": "3736", "@type": "xsd:int" }, "dbo:formula": "C18H24I3N3O8", "dbo:inchi": "InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)", "dbp:inchikey": "DGAIEPBNLOQYER-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "jopromide" }, "dbo:smiles": "CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I", "rdfs:seeAlso": { "@id": "compound:3736" } }, { "@id": "csc:CXGONMQFMIYUJR-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:altLabel": [ { "@language": "nl", "@value": 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"C4H10NO3PS", "dbo:iupacName": { "@language": "en", "@value": "N-(methoxy-methylsulfanylphosphoryl)acetamide" }, "dbp:inchikey": "YASYVMFAVPKPKE-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "CC(=O)NP(=O)(OC)SC", "rdfs:seeAlso": { "@id": "compound:1982" }, "skos:prefLabel": { "@language": "nl", "@value": "acefaat" }, "dbo:inchi": "InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)", "dbo:pubchem": { "@value": "1982", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001438" }, "dbo:casNumber": [ "30560-19-1", "115096-11-2" ], "skos:notation": "acft" }, { "@id": "csc:YWHLKYXPLRWGSE-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "dimethyltrisulfide" }, "dbo:smiles": "CSSSC", "skos:notation": "DC1yTS", "dbp:inchikey": "YWHLKYXPLRWGSE-UHFFFAOYSA-N", "dbo:pubchem": { 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"InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)", "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "skos:notation": "tofnC2y", "dbo:iupacName": { "@language": "en", "@value": "ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate" }, "dbp:inchikey": "YFNCATAIYKQPOO-UHFFFAOYSA-N" }, { "@id": "csc:OGVXWEOZQMAAIM-UHFFFAOYSA-N", "dbp:inchikey": "OGVXWEOZQMAAIM-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "12484", "@type": "xsd:int" }, "dbo:casNumber": "636-21-5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=CC=CC=C1N.Cl", "skos:broader": { "@id": "csc:CHEMONTID_0003964" }, "dbo:formula": "C7H10ClN", "dbo:inchi": "InChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H", "dbo:iupacName": { "@language": "en", "@value": "2-METHYLANILINE HYDROCHLORIDE" }, "skos:notation": "otolidnHCl", "skos:prefLabel": { "@language": "nl", "@value": "o-toluidine hydrochloride" }, "rdfs:seeAlso": { "@id": "compound:12484" } }, { "@id": "csc:KNLLPAOBVIKLDE-UHFFFAOYSA-N", "dbo:smiles": "COC1=CC=C(C=C1)C(C2=CC=CC=C2OC)C(Cl)(Cl)Cl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "30667-99-3", "rdfs:seeAlso": { "@id": "compound:35405" }, "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "dbo:pubchem": { "@value": "35405", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene" }, "skos:notation": "24C1oxCl", "dbo:inchi": "InChI=1S/C16H15Cl3O2/c1-20-12-9-7-11(8-10-12)15(16(17,18)19)13-5-3-4-6-14(13)21-2/h3-10,15H,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4'-methoxychloor" }, "dbo:formula": "C16H15Cl3O2", "dbp:inchikey": "KNLLPAOBVIKLDE-UHFFFAOYSA-N" }, { "@id": "csc:VPHHJAOJUJHJKD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:notation": "34DClBencbzr", "dbo:casNumber": "51-44-5", "dbo:inchi": "InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)", "rdfs:seeAlso": { "@id": "compound:5817" }, "skos:prefLabel": { "@language": "nl", "@value": "3,4-dichloorbenzeencarbonzuur" }, "dbo:iupacName": { "@language": "en", "@value": "3,4-Dichlorobenzoic acid" }, "dbo:pubchem": { "@value": "5817", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002611" }, "dbo:smiles": "C1=CC(=C(C=C1C(=O)O)Cl)Cl", "dbp:inchikey": "VPHHJAOJUJHJKD-UHFFFAOYSA-N", "dbo:formula": "C7H4Cl2O2", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:PTCGDEVVHUXTMP-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "47898", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0004713" }, "dbo:casNumber": [ 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fluorverbindingen. Het is een fluorkoolstof en een fluoralkaan. 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"ZLCUIOWQYBYEBG-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-amino-2-methylanthracene-9,10-dione" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:6702" }, "dbo:smiles": "CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N", "skos:broader": { "@id": "csc:CHEMONTID_0000151" }, "dbo:formula": "C15H11NO2", "skos:prefLabel": { "@language": "nl", "@value": "1-amino-2-methylanthraquinon" }, "dbo:pubchem": { "@value": "6702", "@type": "xsd:int" }, "skos:notation": "1Ao2C1yatqnn", "dbo:casNumber": "82-28-0" }, { "@id": "csc:OSCXYTRISGREIM-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2", "skos:notation": "2Cl2C3eol", "dbo:smiles": "C=C(CO)Cl", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C3H5ClO", "dbo:pubchem": { "@value": "80076", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:80076" }, "dbp:inchikey": "OSCXYTRISGREIM-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-2-propeen-ol" }, "skos:broader": { "@id": "csc:CHEMONTID_0002608" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "5976-47-6", "dbo:iupacName": { "@language": "en", "@value": "2-chloroprop-2-en-1-ol" } }, { "@id": "csc:HPHUVLMMVZITSG-ZCFIWIBFSA-N", "dbo:pubchem": { "@value": "441341", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000060" }, "dbo:inchi": "InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1", "rdfs:seeAlso": { "@id": "compound:441341" }, "dbo:smiles": "CCC(C(=O)N)N1CCCC1=O", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C8H14N2O2", "dbp:inchikey": "HPHUVLMMVZITSG-ZCFIWIBFSA-N", "dbo:iupacName": { "@language": "en", "@value": "(2R)-2-(2-oxopyrrolidin-1-yl)butanamide" }, "dbo:casNumber": "102767-28-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "levtrctm", "skos:prefLabel": { "@language": "nl", "@value": "levetiracetam" } }, { "@id": "csc:VNENJHUOPQAPAT-UHFFFAOYSA-N", "dbp:inchikey": "VNENJHUOPQAPAT-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "108227", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000294" }, "dbo:smiles": "C1=CC2=C(C=C1O)NC(=N2)C3=CSC=N3", "dbo:casNumber": "948-71-0", "skos:notation": "5HOxtabdzle", "dbo:formula": "C10H7N3OS", "dbo:iupacName": { "@language": "en", "@value": "2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol" }, "rdfs:seeAlso": { "@id": "compound:108227" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "5-hydroxythiabendazole" }, "dbo:inchi": "InChI=1S/C10H7N3OS/c14-6-1-2-7-8(3-6)13-10(12-7)9-4-15-5-11-9/h1-5,14H,(H,12,13)" }, { "@id": "csc:KAVGMUDTWQVPDF-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "skos:altLabel": { "@language": "nl", "@value": "perfluorbutaan" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "C4F10", "dbo:casNumber": "355-25-9", "dbo:inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14", "dbo:iupacName": { "@language": "en", "@value": "1,1,1,2,2,3,3,4,4,4-decafluorobutane" }, "dbo:smiles": "C(C(C(F)(F)F)(F)F)(C(F)(F)F)(F)F", "skos:prefLabel": { "@language": "nl", "@value": "decafluorbutaan" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "KAVGMUDTWQVPDF-UHFFFAOYSA-N", "dbo:formula": "C4F10", "dbo:pubchem": { "@value": "9638", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:9638" }, "skos:definition": { "@language": "nl", "@value": "Decafluorbutaan is butaan waarin alle waterstofatomen zijn vervangen door fluorverbindingen. Het is een fluorkoolstof en een fluoralkaan. Het is afgeleid van een hydride van een butaan." } }, { "@id": "csc:RZVHIXYEVGDQDX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "anthracene-9,10-dione" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6780", "@type": "xsd:int" }, "dbo:casNumber": [ "84-65-1", "790240-52-7" ], "dbp:inchikey": "RZVHIXYEVGDQDX-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000151" }, "dbo:inchi": "InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H", "dbo:formula": "C14H8O2", "dbo:smiles": "C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O", "skos:prefLabel": { "@language": "nl", "@value": "antrachinon" }, "rdfs:seeAlso": { "@id": "compound:6780" }, "skos:notation": "antcnn" }, { "@id": "csc:GGNLTHFTYNDYNK-UHFFFAOYSA-N", "dbp:inchikey": "GGNLTHFTYNDYNK-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "fenkapton" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane" }, "dbo:smiles": "CCOP(=S)(OCC)SCSC1=C(C=CC(=C1)Cl)Cl", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "febktn", "rdfs:seeAlso": { "@id": "compound:16773" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:inchi": "InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3", "dbo:pubchem": { "@value": "16773", "@type": "xsd:int" }, "dbo:casNumber": "2275-14-1", "dbo:formula": "C11H15Cl2O2PS3" }, { "@id": "csc:XNYGOEGATLFFOX-UHFFFAOYSA-N", "dbo:formula": "C13H16O2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:31341" }, "dbp:inchikey": "XNYGOEGATLFFOX-UHFFFAOYSA-N", "dbo:smiles": "C1C=CCC2C1C3CC=CCC3(O2)C=O", "skos:broader": { "@id": "csc:CHEMONTID_0002648" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde" }, "dbo:pubchem": { "@value": "31341", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2", "dbo:casNumber": "126-15-8", "skos:prefLabel": { "@language": "nl", "@value": "bis(butyleen)tetrahydrofuraldehyde" }, "skos:notation": "bisC4yeT4HfA" }, { "@id": "csc:RCFAHSGZAAFQJH-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": [ "25640-70-4", "2769-94-0" ], "skos:broader": { "@id": "csc:CHEMONTID_0002651" }, "rdfs:seeAlso": { "@id": "compound:102877" }, "dbo:inchi": "InChI=1S/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3", "dbp:inchikey": "RCFAHSGZAAFQJH-UHFFFAOYSA-N", "dbo:smiles": "CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3", "skos:notation": "24bis1FyC2yF", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C22H22O", "skos:prefLabel": { "@language": "nl", "@value": "2,4-bis(1-fenylethyl)fenol" }, "dbo:pubchem": { "@value": "102877", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2,4-Bis(1-phenylethyl)phenol" } }, { "@id": "csc:OWRCNXZUPFZXOS-UHFFFAOYSA-N", "skos:notation": "13DFygandne", "dbo:iupacName": { "@language": "en", "@value": "1,2-di(phenyl)guanidine" }, "dbp:inchikey": "OWRCNXZUPFZXOS-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)", "skos:prefLabel": { "@language": "nl", "@value": "1,3-difenylguanidine" }, "dbo:casNumber": [ "33505-70-3", "25323-69-7", "102-06-7", "55556-10-0", "39291-21-9" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "7594", "@type": "xsd:int" }, "dbo:smiles": "C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N", "dbo:formula": "C13H13N3", "rdfs:seeAlso": { "@id": "compound:7594" }, "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:CKDDRHZIAZRDBW-UHFFFAOYSA-N", "dbo:casNumber": "2363-71-5", "dbo:iupacName": { "@language": "en", "@value": "Henicosanoic acid" }, "dbo:pubchem": { "@value": "16898", "@type": "xsd:int" }, "dbp:inchikey": "CKDDRHZIAZRDBW-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002949" }, "skos:notation": "C21azr", "dbo:formula": "C21H42O2", "skos:prefLabel": { "@language": "nl", "@value": "heneicosaanzuur" }, "rdfs:seeAlso": { "@id": "compound:16898" }, "dbo:smiles": "CCCCCCCCCCCCCCCCCCCCC(=O)O", "dbo:inchi": "InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)" }, { "@id": "csc:TVFJAZCVMOXQRK-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "CC(C)(C)CCCCCC(=O)OC=C", "skos:prefLabel": { "@language": "nl", "@value": "neodecaanzuur ethenylester" }, "dbo:inchi": "InChI=1S/C12H22O2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5H,1,6-10H2,2-4H3", "dbo:iupacName": { "@language": "en", "@value": "ethenyl 7,7-dimethyloctanoate" }, "dbo:casNumber": [ "17756-73-9", "51000-52-3" ], "rdfs:seeAlso": { "@id": "compound:162097" }, "skos:broader": { "@id": "csc:CHEMONTID_0000324" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "TVFJAZCVMOXQRK-UHFFFAOYSA-N", "skos:notation": "neoC10azetnE", "dbo:formula": "C12H22O2", "dbo:pubchem": { "@value": "162097", "@type": "xsd:int" } }, { "@id": "csc:HYWZIAVPBSTISZ-UHFFFAOYSA-N", "dbo:formula": "C10HF21O3S", "dbp:inchikey": "HYWZIAVPBSTISZ-UHFFFAOYSA-N", "dbo:casNumber": "335-77-3", "rdfs:seeAlso": { "@id": "compound:67636" }, "skos:altLabel": [ { "@language": "nl", "@value": "perfluor-1-decaansulfonzuur" }, { "@language": "nl", "@value": "perfluor-n-decaansulfonzuur (pfds)" }, { "@language": "nl", "@value": "perfluordecaansulfonzuur (pfds)" } ], "dbo:inchi": "InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)", "dbo:iupacName": { "@language": "en", "@value": "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid" }, "dbo:pubchem": { "@value": "67636", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0003961" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluor-n-decaansulfonzuur" }, "dbo:smiles": "C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F", "skos:notation": [ "PFDS", "L_PFDS" ] }, { "@id": "csc:ZNPSUQQXTRRSBM-UHFFFAOYSA-N", "dbo:casNumber": [ "14938-35-3", "65916-15-6" ], "rdfs:seeAlso": { "@id": "compound:26975" }, "dbo:inchi": "InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "4-pentylfenol" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CCCCCC1=CC=C(C=C1)O", "dbp:inchikey": "ZNPSUQQXTRRSBM-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-PENTYLPHENOL" }, "dbo:formula": "C11H16O", "skos:broader": { "@id": "csc:CHEMONTID_0004646" }, "skos:altLabel": { "@language": "nl", "@value": "4-n-pentylfenol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "4C5yFt", "dbo:pubchem": { "@value": "26975", "@type": "xsd:int" } }, { "@id": "csc:FWCBATIDXGJRMF-UHFFFAOYSA-N", "dbo:smiles": "CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C", "dbo:casNumber": [ "72349-14-5", "18467-77-1", "26996-98-5", "36058-05-6", "27708-72-1", "3768-13-6", "129607-69-8", "59795-40-3", "64040-42-2", "136881-53-3", "131400-21-0", "49813-52-7", "28300-95-0" ], "dbo:pubchem": { "@value": "72085", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid" }, "rdfs:seeAlso": { "@id": "compound:72085" }, "skos:prefLabel": { "@language": "nl", "@value": "dikegulac" }, "dbo:formula": "C12H18O7", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "FWCBATIDXGJRMF-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004472" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)", "skos:notation": "Dikglc" }, { "@id": "csc:NWBJYWHLCVSVIJ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "124786-41-0", "1214-39-7", "3458-19-3" ], "skos:prefLabel": { "@language": "nl", "@value": "benzyladenine" }, "dbo:iupacName": { "@language": "en", "@value": 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"nl", "@value": "trichloorazijnzuur" }, "dbo:casNumber": "76-03-9", "dbo:smiles": "C(=O)(C(Cl)(Cl)Cl)O", "skos:notation": "TClHAc", "dbo:inchi": "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" }, { "@id": "csc:MTLMVEWEYZFYTH-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "PCB30", "dbo:casNumber": "35693-92-6", "dbo:pubchem": { "@value": "37247", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4,6-trichloorbifenyl" }, "dbo:formula": "C12H7Cl3", "dbo:iupacName": { "@language": "en", "@value": "1,3,5-trichloro-2-phenylbenzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "MTLMVEWEYZFYTH-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:37247" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:inchi": "InChI=1S/C12H7Cl3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H" }, { "@id": "csc:DUZVBQWEFKXWJM-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "haloxyfop" }, "dbo:formula": "C15H10ClF3NNaO4", "skos:notation": "halOxfp", "dbo:smiles": "CC(C(=O)[O-])OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl.[Na+]", "dbo:inchi": "InChI=1S/C15H11ClF3NO4.Na/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19;/h2-8H,1H3,(H,21,22);/q;+1/p-1", "dbo:pubchem": { "@value": "3053343", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004674" }, "dbo:casNumber": [ "69806-86-6", "69806-34-4" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "DUZVBQWEFKXWJM-UHFFFAOYSA-M", "dbo:iupacName": { "@language": "en", "@value": "sodium 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" }, "rdfs:seeAlso": { "@id": "compound:3053343" } }, { "@id": "csc:KEAYESYHFKHZAL-BJUDXGSMSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:6328543" }, "skos:notation": "Na22", "dbo:casNumber": "13966-32-0", "dbo:formula": "Na", "dbo:inchi": "InChI=1S/Na/i1-1", "dbp:inchikey": "KEAYESYHFKHZAL-BJUDXGSMSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000425" }, "dbo:pubchem": { "@value": "6328543", "@type": "xsd:int" }, "dbo:smiles": "[Na]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "natrium 22" }, "dbo:iupacName": { "@language": "en", "@value": "sodium-22" } }, { "@id": "csc:OJYGBLRPYBAHRT-OPKHMCHVSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001540" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2?,3-,4+,5+,6?,7+/m0/s1", "dbo:iupacName": { "@language": "en", "@value": "1-[(2R,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]ethane-1,2-diol" }, "dbp:inchikey": "OJYGBLRPYBAHRT-OPKHMCHVSA-N", "dbo:casNumber": "15879-93-3", "skos:notation": "chlorlse", "skos:prefLabel": { "@language": "nl", "@value": "chloralose" }, "dbo:pubchem": { "@value": "27525", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:27525" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O", "dbo:formula": "C8H11Cl3O6" }, { "@id": "csc:OPASCBHCTNRLRM-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCSCCSP(=S)(OC)OC", "skos:broader": { "@id": "csc:CHEMONTID_0004164" }, "dbo:inchi": "InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3", "skos:notation": "tomtn", "dbo:pubchem": { "@value": "12541", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:12541" }, "dbo:formula": "C6H15O2PS3", "dbo:casNumber": "640-15-3", "skos:prefLabel": { "@language": "nl", "@value": "thiometon" }, "dbo:iupacName": { "@language": "en", "@value": "2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidenephosphorane" }, "dbp:inchikey": "OPASCBHCTNRLRM-UHFFFAOYSA-N" }, { "@id": "csc:YERASKROMPMIBM-UHFFFAOYSA-N", "dbo:casNumber": "111512-56-2", "skos:prefLabel": { "@language": "nl", "@value": "1,1-dichloor-1,2,3,3,3-pentafluorpropaan" }, "rdfs:seeAlso": { "@id": "compound:62310" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbo:inchi": "InChI=1S/C3HCl2F5/c4-2(5,7)1(6)3(8,9)10/h1H", "dbp:inchikey": "YERASKROMPMIBM-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,1-DICHLORO-1,2,3,3,3-PENTAFLUOROPROPANE" }, "skos:notation": "HCFK225eb", "dbo:pubchem": { "@value": "62310", "@type": "xsd:int" }, "dbo:formula": "C3HCl2F5", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "C(C(F)(F)F)(C(F)(Cl)Cl)F" }, { "@id": "csc:BERQWQSQOIEUMA-UHFFFAOYSA-M", "dbo:casNumber": "19437-42-4", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C10H7NaO9S3", "dbo:pubchem": { "@value": "88066", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "sodium 3,6-disulfonaphthalene-1-sulfonate" }, "rdfs:seeAlso": { "@id": "compound:88066" }, "dbp:inchikey": "BERQWQSQOIEUMA-UHFFFAOYSA-M", "skos:broader": { "@id": "csc:CHEMONTID_0003601" }, "dbo:smiles": "C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]", "skos:prefLabel": { "@language": "nl", "@value": "naftaleen-1,3,6-trisulfonaat,natriumzout" }, "skos:notation": "Naf136TsfntN", "dbo:inchi": "InChI=1S/C10H8O9S3.Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1" }, { "@id": "csc:QIGBRXMKCJKVMJ-UHFFFAOYSA-N", "dbo:casNumber": [ "8027-02-9", "57534-13-1", "123-31-9" ], "dbo:pubchem": { "@value": "785", "@type": "xsd:int" }, "dbo:formula": "C6H6O2", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC(=CC=C1O)O", "dbo:iupacName": { "@language": "en", "@value": "Benzene-1,4-diol" }, "dbp:inchikey": "QIGBRXMKCJKVMJ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "1,4-dihydroxybenzeen" }, "skos:notation": "14DHOxBen", "dbo:inchi": "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H", "rdfs:seeAlso": { "@id": "compound:785" }, "skos:broader": { "@id": "csc:CHEMONTID_0000136" } }, { "@id": "csc:LWHQXUODFPPQTL-UHFFFAOYSA-M", "dbo:casNumber": "335-95-5", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+]", "skos:notation": "PFOA_Na", "skos:prefLabel": { "@language": "nl", "@value": "perfluoroctaanzuur, natriumzout" }, "dbp:inchikey": "LWHQXUODFPPQTL-UHFFFAOYSA-M", "dbo:iupacName": { "@language": "en", "@value": "sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate" }, "rdfs:seeAlso": { "@id": "compound:67637" }, "dbo:formula": "C8F15NaO2", "dbo:pubchem": { "@value": "67637", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003962" } }, { "@id": "csc:UUSQFLGKGQEVCM-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "benzoxoniumchloride" }, "dbo:casNumber": "19379-90-9", "dbo:iupacName": { "@language": "en", "@value": "benzyl-dodecyl-bis(2-hydroxyethyl)azanium chloride" }, "skos:notation": "benzxnuCl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:29563" }, "dbo:inchi": "InChI=1S/C23H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;1H/q+1;/p-1", "@type": [ 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gadolinium(+3) cation" }, "dbo:inchi": "InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3", "dbo:casNumber": "131410-48-5", "dbo:formula": "C16H26GdN5O8", "skos:broader": { "@id": "csc:CHEMONTID_0002309" } }, { "@id": "csc:HEMJJKBWTPKOJG-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:3463" }, "dbo:inchi": "InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)", "skos:notation": "gemfbzl", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "dbo:formula": "C15H22O3", "dbo:iupacName": { "@language": "en", "@value": "5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid" }, "dbo:pubchem": { "@value": "3463", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "gemfibrozil" }, "dbo:casNumber": "25812-30-0", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "HEMJJKBWTPKOJG-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O" }, { "@id": "csc:FDIPWBUDOCPIMH-UHFFFAOYSA-N", "dbo:casNumber": "27157-66-0", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "FDIPWBUDOCPIMH-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:3032831" }, "dbo:smiles": "CCCCCCCCCCC1=CC=CC=C1O", "skos:prefLabel": { "@language": "nl", "@value": "decylfenol" }, "dbo:iupacName": { "@language": "en", "@value": "2-decylphenol" }, "skos:broader": { "@id": "csc:CHEMONTID_0004647" }, "dbo:pubchem": { "@value": "3032831", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14,17H,2-9,12H2,1H3", "dbo:formula": "C16H26O" }, { "@id": "csc:GUBGYTABKSRVRQ-UHFFFAOYSA-N", "dbo:smiles": "C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O", "rdfs:seeAlso": { "@id": "compound:294" }, "skos:prefLabel": { "@language": "nl", "@value": "lactose" }, "dbo:casNumber": [ "528-50-7", "16462-44-5", "69-79-4", "63-42-3", "13360-52-6" ], "dbo:pubchem": { "@value": "294", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "lactse", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C12H22O11", "dbo:inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2", "dbo:iupacName": { "@language": "en", "@value": "2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol" }, "skos:broader": { "@id": "csc:CHEMONTID_0002207" }, "dbp:inchikey": "GUBGYTABKSRVRQ-UHFFFAOYSA-N" }, { "@id": "csc:CUONGYYJJVDODC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000362" }, "dbo:pubchem": { "@value": "8010", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:8010" }, "dbo:iupacName": { "@language": "en", "@value": "Propanedinitrile" }, "dbo:inchi": "InChI=1S/C3H2N2/c4-2-1-3-5/h1H2", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:notation": "malnntl", "dbo:formula": "C3H2N2", "skos:prefLabel": { "@language": "nl", "@value": "malononitril" }, "dbo:smiles": "C(C#N)C#N", "dbo:casNumber": [ "144804-99-9", "109-77-3" ], "dbp:inchikey": "CUONGYYJJVDODC-UHFFFAOYSA-N" }, { "@id": "csc:SUKJFIGYRHOWBL-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "24340", "@type": "xsd:int" }, "skos:notation": "NaOCl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "56172-57-7", "8007-59-8", "227453-69-2", "7681-52-9" ], "skos:broader": { "@id": "csc:CHEMONTID_0000640" }, "dbo:inchi": "InChI=1S/ClO.Na/c1-2;/q-1;+1", "dbp:inchikey": "SUKJFIGYRHOWBL-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "SODIUM HYPOCHLORITE" }, "rdfs:seeAlso": { "@id": "compound:24340" }, "skos:prefLabel": { "@language": "nl", "@value": "natriumhypochloriet" }, "dbo:smiles": "[O-]Cl.[Na+]", "dbo:formula": "ClNaO" }, { "@id": "csc:XUKUURHRXDUEBC-KAYWLYCHSA-N", "skos:notation": "atvttne", "skos:prefLabel": { "@language": "nl", "@value": "atorvastatine" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "60823", "@type": "xsd:int" }, "dbp:inchikey": "XUKUURHRXDUEBC-KAYWLYCHSA-N", "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", "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:casNumber": "134523-00-5", "dbo:formula": "C33H35FN2O5", "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" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:60823" }, "skos:broader": { "@id": "csc:CHEMONTID_0002695" } }, { "@id": "csc:QXJKBPAVAHBARF-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione" }, "dbo:casNumber": [ "32809-16-8", "60120-20-9", "68444-90-6" ], "skos:broader": { "@id": "csc:CHEMONTID_0000303" }, "dbo:formula": "C13H11Cl2NO2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:36242" }, "dbo:pubchem": { "@value": "36242", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "procymidon" }, "skos:notation": "procmdn", "dbp:inchikey": "QXJKBPAVAHBARF-UHFFFAOYSA-N", "dbo:smiles": "CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C", "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" }, { "@id": "csc:ZUSHSDOEVHPTCU-UHFFFAOYSA-N", "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)", "skos:broader": { "@id": "csc:CHEMONTID_0004147" }, "dbo:iupacName": { "@language": "en", "@value": "6-chloro-3-phenyl-1H-pyridazin-4-one" }, "dbo:casNumber": "40020-01-7", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:92316" }, "skos:prefLabel": { "@language": "nl", "@value": "pyridafol" }, "dbo:pubchem": { "@value": "92316", "@type": "xsd:int" }, "skos:notation": "pyrdfl", "dbp:inchikey": "ZUSHSDOEVHPTCU-UHFFFAOYSA-N", "dbo:formula": "C10H7ClN2O", "dbo:smiles": "C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:WOWHHFRSBJGXCM-UHFFFAOYSA-M", "dbo:casNumber": [ "146909-27-5", "53023-95-3", "112-02-7", "68002-63-1", "79728-63-5", "139272-33-6" ], "dbo:iupacName": { "@language": "en", "@value": "hexadecyl-trimethylazanium chloride" }, "dbp:inchikey": "WOWHHFRSBJGXCM-UHFFFAOYSA-M", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "C16ylTC1ylNH", "rdfs:seeAlso": { "@id": "compound:8154" }, "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "skos:prefLabel": { "@language": "nl", "@value": "hexadecyltrimethylammoniumchloride" }, "dbo:formula": "C19H42ClN", "dbo:pubchem": { "@value": "8154", "@type": "xsd:int" }, "dbo:smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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" }, { "@id": "csc:KHSLHYAUZSPBIU-UHFFFAOYSA-M", "dbp:inchikey": "KHSLHYAUZSPBIU-UHFFFAOYSA-M", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "23705", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]", "dbo:casNumber": "7281-04-1", "rdfs:seeAlso": { "@id": "compound:23705" }, "skos:prefLabel": { "@language": "nl", "@value": "dodecyldimethylbenzylammoniumbromide" }, "dbo:formula": "C21H38BrN", "dbo:iupacName": { "@language": "en", "@value": "benzyl-dodecyl-dimethylazanium bromide" }, "skos:notation": "DDBAB", "skos:broader": { "@id": "csc:CHEMONTID_0003976" }, "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" }, { "@id": "csc:JZQKKSLKJUAGIC-UHFFFAOYSA-N", "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "JZQKKSLKJUAGIC-UHFFFAOYSA-N", "dbo:casNumber": [ "21870-06-4", "13523-86-9" ], "skos:notation": "pindll", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "4828", "@type": "xsd:int" }, "dbo:formula": "C14H20N2O2", "dbo:smiles": "CC(C)NCC(COC1=CC=CC2=C1C=CN2)O", "skos:broader": { "@id": "csc:CHEMONTID_0002497" }, "rdfs:seeAlso": { "@id": "compound:4828" }, "dbo:iupacName": { "@language": "en", "@value": "1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol" }, "skos:prefLabel": { "@language": "nl", "@value": "pindolol" } }, { "@id": "csc:SPFYMRJSYKOXGV-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F", "dbo:iupacName": { "@language": "en", "@value": "1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid" }, "dbo:casNumber": "93106-60-6", "skos:notation": "enrfxcne", "dbo:formula": "C19H22FN3O3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:broader": { "@id": "csc:CHEMONTID_0002552" }, "skos:prefLabel": { "@language": "nl", "@value": "enrofloxacine" }, "dbp:inchikey": "SPFYMRJSYKOXGV-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "71188", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:71188" } }, { "@id": "csc:DAIIXVPKQATIMF-UHFFFAOYSA-N", "dbo:casNumber": "3175-23-3", "dbo:smiles": "CC(CCl)(Cl)Cl", "rdfs:seeAlso": { "@id": "compound:18505" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "1,2,2-trichloorpropaan" }, "dbo:inchi": "InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3", "skos:notation": "122TClC3a", "dbo:pubchem": { "@value": "18505", "@type": "xsd:int" }, "dbo:formula": "C3H5Cl3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,2-TRICHLOROPROPANE" }, "dbp:inchikey": "DAIIXVPKQATIMF-UHFFFAOYSA-N" }, { "@id": "csc:QBAYIBZITZBSFO-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2-trifluoromethylbenzamide" }, "dbo:formula": "C8H6F3NO", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2-(Trifluoromethyl)benzamide" }, "dbo:inchi": "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)", "skos:notation": "2TFC1yBenAd", "dbp:inchikey": "QBAYIBZITZBSFO-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "67759", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004551" }, "dbo:smiles": "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F", "dbo:casNumber": "360-64-5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:67759" } }, { "@id": "csc:JMIXTHMPTMXARZ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:21964789" }, "dbo:formula": "C13HF27O3S", "dbo:casNumber": "791563-89-8", "dbo:pubchem": { "@value": "21964789", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "PFTrDS", "dbp:inchikey": "JMIXTHMPTMXARZ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003961" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosafluorotridecane-1-sulfonic acid" }, "dbo:smiles": "C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F", "skos:prefLabel": { "@language": "nl", "@value": "Perfluor-n-tridecaansulfonzuur" }, "dbo:inchi": "InChI=1S/C13HF27O3S/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)44(41,42)43/h(H,41,42,43)" }, { "@id": "csc:CUDYYMUUJHLCGZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", 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"C4H12Sn", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CCCC[SnH3]", "dbo:pubchem": { "@value": "16996", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004150" }, "skos:prefLabel": { "@language": "nl", "@value": "monobutyltin" }, "dbo:casNumber": "2406-65-7", "dbp:inchikey": "FAOSYNUKPVJLNZ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C4H9.Sn.3H/c1-3-4-2;;;;/h1,3-4H2,2H3;;;;", "dbo:iupacName": { "@language": "en", "@value": "BUTYLSTANNANE" }, "rdfs:seeAlso": { "@id": "compound:16996" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:LEOCKULGXOQRTQ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C12H18Br6", "dbo:pubchem": { "@value": "33121", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2", "skos:prefLabel": { "@language": "nl", "@value": "som HBCD (technisch mengsel, niet-gespecif. broom-posities)" }, "skos:altLabel": { "@language": "nl", "@value": "som hbcd (technisch mengsel, niet-gespecif. broom-posities)" }, "dbo:casNumber": [ "22374-57-8", "25637-99-4" ], "dbp:inchikey": "LEOCKULGXOQRTQ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001515" }, "skos:notation": "HBCD", "rdfs:seeAlso": { "@id": "compound:33121" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1C(CC(CC(CC(CC(CC1Br)Br)Br)Br)Br)Br", "dbo:iupacName": { "@language": "en", "@value": "1,3,5,7,9,11-hexabromocyclododecane" } }, { "@id": "csc:YWBVHLJPRPCRSD-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "fluridon" }, "dbp:inchikey": "YWBVHLJPRPCRSD-UHFFFAOYSA-N", "skos:notation": "flurdn", "skos:broader": { "@id": "csc:CHEMONTID_0002317" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": 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"csc:IOQPZZOEVPZRBK-UHFFFAOYSA-N", "dbo:casNumber": [ "111-86-4", "191113-89-0", "68037-94-5" ], "skos:broader": { "@id": "csc:CHEMONTID_0000469" }, "dbo:pubchem": { "@value": "8143", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:8143" }, "skos:notation": "1AoC8a", "dbo:iupacName": { "@language": "en", "@value": "octan-1-amine" }, "dbo:inchi": "InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCCCCN", "dbo:formula": "C8H19N", "skos:prefLabel": { "@language": "nl", "@value": "1-aminooctaan" }, "dbp:inchikey": "IOQPZZOEVPZRBK-UHFFFAOYSA-N" }, { "@id": "csc:UCKMPCXJQFINFW-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/S/q-2", "dbp:inchikey": "UCKMPCXJQFINFW-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Sulfide" }, "dbo:smiles": "[S-2]", 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"@language": "en", "@value": "(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" } }, { "@id": "csc:SNPPWIUOZRMYNY-UHFFFAOYSA-N", "dbo:casNumber": [ "34911-55-2", "34841-39-9" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one" }, "skos:broader": { "@id": "csc:CHEMONTID_0004298" }, "rdfs:seeAlso": { "@id": "compound:444" }, "dbp:inchikey": "SNPPWIUOZRMYNY-UHFFFAOYSA-N", "dbo:formula": "C13H18ClNO", "skos:notation": "buppon", "dbo:pubchem": { "@value": "444", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "bupropion" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3", "dbo:smiles": "CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C" }, { "@id": 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"csc:RJTJVVYSTUQWNI-UHFFFAOYSA-N", "dbo:casNumber": "939-27-5", "dbo:iupacName": { "@language": "en", "@value": "2-Ethylnaphthalene" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3", "dbo:formula": "C12H12", "dbo:pubchem": { "@value": "13652", "@type": "xsd:int" }, "skos:notation": "2C2yNaf", "rdfs:seeAlso": { "@id": "compound:13652" }, "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "dbp:inchikey": "RJTJVVYSTUQWNI-UHFFFAOYSA-N", "dbo:smiles": "CCC1=CC2=CC=CC=C2C=C1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2-ethylnaftaleen" } }, { "@id": "csc:KHLRYLUKBJEYFH-UHFFFAOYSA-N", "skos:notation": "6:2/8:2 diPAP", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "6:2/8:2 fluortelomerfosfaat diester" }, "dbp:inchikey": 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"InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+", "dbo:pubchem": { "@value": "5366546", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "methopreen" }, "skos:notation": "metpn", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)OC(=O)C=C(C)C=CCC(C)CCCC(C)(C)OC", "dbo:iupacName": { "@language": "en", "@value": "['propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate', 'propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate']" } }, { "@id": "csc:VBCVPMMZEGZULK-NRFANRHFSA-N", "dbp:inchikey": "VBCVPMMZEGZULK-NRFANRHFSA-N", "dbo:casNumber": [ "173584-44-6", "174060-41-4" ], "dbo:formula": "C22H17ClF3N3O7", "skos:broader": { "@id": "csc:CHEMONTID_0004714" }, "rdfs:seeAlso": { "@id": "compound:107720" }, "skos:prefLabel": { "@language": "nl", "@value": "indoxacarb (S-isomeer)" }, "skos:notation": "indxcb", "@type": [ "skos:Concept", "dbo:ChemicalCompound", 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"skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "41736", "@type": "xsd:int" }, "dbo:smiles": "C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br", "skos:prefLabel": { "@language": "nl", "@value": "brodifacum" }, "dbp:inchikey": "LNDUTAIPEYOCDF-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:41736" }, "dbo:casNumber": [ "80449-88-3", "56073-10-0" ], "dbo:iupacName": { "@language": "en", "@value": "3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002044" } }, { "@id": "csc:ALZOLUNSQWINIR-UHFFFAOYSA-N", "dbo:casNumber": "90717-03-6", "dbo:formula": "C11H8ClNO2", "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)", "dbp:inchikey": "ALZOLUNSQWINIR-UHFFFAOYSA-N", "skos:notation": "quinmrc", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "7-Chloro-3-methylquinoline-8-carboxylic acid" }, "dbo:smiles": "CC1=CC2=C(C(=C(C=C2)Cl)C(=O)O)N=C1", "rdfs:seeAlso": { "@id": "compound:91749" }, "dbo:pubchem": { "@value": "91749", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "quinmerac" } }, { "@id": "csc:FITIWKDOCAUBQD-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:casNumber": [ "64772-54-9", "34643-46-4" ], "dbo:iupacName": { "@language": "en", "@value": "(2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidenephosphorane" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "protofs", "dbo:inchi": "InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3", "dbo:smiles": "CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl", "dbp:inchikey": "FITIWKDOCAUBQD-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:36870" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "prothiofos" }, "dbo:formula": "C11H15Cl2O2PS2", "dbo:pubchem": { "@value": "36870", "@type": "xsd:int" } }, { "@id": "csc:KFSLACSYHBJOPS-UHFFFAOYSA-N", "dbo:smiles": "0", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "KFSLACSYHBJOPS-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/3C6H5.C2H3O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3;", "skos:prefLabel": { "@language": "nl", "@value": "fentinacetaat" }, "skos:altLabel": { "@language": "nl", "@value": "trifenyltinacetaat" }, "skos:notation": "fentactt", "dbo:iupacName": { "@language": "en", "@value": "tri(phenyl)stannyl acetate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "900-95-8", "dbo:formula": "0" }, { "@id": "csc:TXEYQDLBPFQVAA-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "tetrafluoromethane" }, "dbo:casNumber": "75-73-0", "dbo:inchi": "InChI=1S/CF4/c2-1(3,4)5", "rdfs:seeAlso": { "@id": "compound:6393" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "skos:prefLabel": { "@language": "nl", "@value": "tetrafluormethaan" }, "dbp:inchikey": "TXEYQDLBPFQVAA-UHFFFAOYSA-N", "dbo:formula": "CF4", "dbo:smiles": "C(F)(F)(F)F", "skos:altLabel": [ { "@language": "nl", "@value": "perfluormethaan" }, { "@language": "nl", "@value": "koolstoffluoride" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:definition": { "@language": "nl", "@value": "Tetrafluormethaan is een kleurloos, onbrandbaar gas. Het wordt als vloeistof onder druk verzonden. Bij hoge concentraties kan het verdovend werken. Bij langdurige blootstelling aan vuur of hitte kunnen de containers met geweld scheuren en wegschieten. Het wordt gebruikt als koelmiddel." }, "dbo:pubchem": { "@value": "6393", "@type": "xsd:int" }, "skos:notation": "CF4" }, { "@id": "csc:VKYKSIONXSXAKP-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002798" }, "dbo:smiles": "C1N2CN3CN1CN(C2)C3", "dbo:casNumber": [ "91773-48-7", "11103-67-6", "74734-16-0", "24911-88-4", "15978-33-3", "100-97-0", "56549-34-9" ], "dbo:inchi": "InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2", "dbo:pubchem": { "@value": "4101", "@type": "xsd:int" }, "skos:notation": "HxC1yeT4Ae", "dbp:inchikey": "VKYKSIONXSXAKP-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "C6H12N4", "rdfs:seeAlso": { "@id": "compound:4101" }, "dbo:iupacName": { "@language": "en", "@value": "1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "hexamethyleentetramine (Urotropine)" } }, { "@id": "csc:VRBKIVRKKCLPHA-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "4449", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "nefazodone" }, "dbo:casNumber": "83366-66-9", "skos:broader": { "@id": "csc:CHEMONTID_0001984" }, "skos:notation": "nefzdne", "dbo:iupacName": { "@language": "en", "@value": "2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one" }, "dbo:smiles": "CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl", "dbp:inchikey": "VRBKIVRKKCLPHA-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:4449" }, "dbo:inchi": "InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3", "dbo:formula": "C25H32ClN5O2" }, { "@id": "csc:GECHUMIMRBOMGK-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001925" }, "dbo:casNumber": "144-83-2", "skos:notation": "sulfprdne", "dbo:smiles": "C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N", "dbo:pubchem": { "@value": "5336", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "4-amino-N-pyridin-2-ylbenzenesulfonamide" }, "dbo:formula": "C11H11N3O2S", "rdfs:seeAlso": { "@id": "compound:5336" }, "skos:prefLabel": { "@language": "nl", "@value": "sulfapyridine" }, "dbp:inchikey": "GECHUMIMRBOMGK-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)" }, { "@id": "csc:MQIUGAXCHLFZKX-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8346" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "dioctylftalaat" }, "dbo:iupacName": { "@language": "en", "@value": "dioctyl benzene-1,2-dicarboxylate" }, "skos:altLabel": { "@language": "nl", "@value": "di-n-octylftalaat" }, "dbo:formula": "C24H38O4", "dbo:casNumber": [ "8031-29-6", "68515-43-5", "117-84-0" ], "skos:notation": "DC8yFt", "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbo:smiles": "CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC", "dbp:inchikey": "MQIUGAXCHLFZKX-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3", "dbo:pubchem": { "@value": "8346", "@type": "xsd:int" } }, { "@id": "csc:UHGULLIUJBCTEF-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2-aminobenzothiazool" }, "dbo:iupacName": { "@language": "en", "@value": "1,3-benzothiazol-2-amine" }, "dbo:inchi": "InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)", "skos:broader": { "@id": 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"en", "@value": "disodium [2-(sulfidocarbothioylamino)ethylamino]methanedithioate" }, "dbo:inchi": "InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2", "skos:broader": { "@id": "csc:CHEMONTID_0004099" }, "skos:altLabel": { "@language": "nl", "@value": "ethyleenbisdithiocarbamaat" } }, { "@id": "csc:QUYFPNWYGLFQQU-UHFFFAOYSA-N", "dbo:formula": "C11H24", "dbo:casNumber": "13151-35-4", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:93071" }, "skos:prefLabel": { "@language": "nl", "@value": "5-methyldecaan" }, "dbp:inchikey": "QUYFPNWYGLFQQU-UHFFFAOYSA-N", "skos:notation": "5C1yC10a", "dbo:inchi": "InChI=1S/C11H24/c1-4-6-8-10-11(3)9-7-5-2/h11H,4-10H2,1-3H3", "dbo:smiles": "CCCCCC(C)CCCC", "dbo:iupacName": { "@language": "en", "@value": "5-Methyldecane" }, "dbo:pubchem": { "@value": "93071", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": 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