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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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