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"dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "neodymium" }, "dbo:iupacName": { "@language": "en", "@value": "NEODYMIUM" }, "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:pubchem": { "@value": "23934", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/Nd", "dbo:formula": "Nd" }, { "@id": "csc:UHCLFIWDCYOTOL-UHFFFAOYSA-N", "dbo:casNumber": "52663-63-5", "dbo:inchi": "InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H", "rdfs:seeAlso": { "@id": "compound:40471" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,5,5',6-hexachloorbifenyl" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene" }, "dbp:inchikey": "UHCLFIWDCYOTOL-UHFFFAOYSA-N", "dbo:formula": "C12H4Cl6", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "40471", "@type": "xsd:int" }, "dbo:smiles": 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"32921", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea" }, "rdfs:seeAlso": { "@id": "compound:32921" } }, { "@id": "csc:ZMANZCXQSJIPKH-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "TC2yAe", "dbp:inchikey": "ZMANZCXQSJIPKH-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "8471", "@type": "xsd:int" }, "dbo:formula": "C6H15N", "skos:prefLabel": { "@language": "nl", "@value": "triethylamine" }, "skos:broader": { "@id": "csc:CHEMONTID_0002239" }, "dbo:casNumber": [ "121-44-8", "168277-99-4", "144514-14-7", "172227-74-6" ], "rdfs:seeAlso": { "@id": "compound:8471" }, "dbo:inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "N,N-Diethylethanamine" }, "dbo:smiles": "CCN(CC)CC" }, { "@id": "csc:BPFYOAJNDMUVBL-UHFFFAOYSA-N", "skos:prefLabel": { 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"@value": "6434488", "@type": "xsd:int" }, "dbo:smiles": "CCC=C(C)C(C#C)OC(=O)C1C(C1(C)C)C=C(C)C", "dbo:iupacName": { "@language": "en", "@value": "[(E)-4-methylhept-4-en-1-yn-3-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate" }, "skos:prefLabel": { "@language": "nl", "@value": "empenthrin" }, "rdfs:seeAlso": { "@id": "compound:6434488" } }, { "@id": "csc:LEOCKULGXOQRTQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,3,5,7,9,11-hexabromocyclododecane" }, "dbo:smiles": "C1C(CC(CC(CC(CC(CC1Br)Br)Br)Br)Br)Br", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:33121" }, "skos:notation": "HBCD", "dbo:casNumber": [ "25637-99-4", "22374-57-8" ], "skos:broader": { "@id": "csc:CHEMONTID_0001515" }, "dbp:inchikey": "LEOCKULGXOQRTQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:altLabel": { "@language": "nl", "@value": "som hbcd (technisch mengsel, niet-gespecif. broom-posities)" }, "skos:prefLabel": { "@language": "nl", "@value": "som HBCD (technisch mengsel, niet-gespecif. broom-posities)" }, "dbo:inchi": "InChI=1S/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2", "dbo:pubchem": { "@value": "33121", "@type": "xsd:int" }, "dbo:formula": "C12H18Br6" }, { "@id": "csc:FAOSYNUKPVJLNZ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:16996" }, "dbo:iupacName": { "@language": "en", "@value": "BUTYLSTANNANE" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C4H9.Sn.3H/c1-3-4-2;;;;/h1,3-4H2,2H3;;;;", "dbp:inchikey": "FAOSYNUKPVJLNZ-UHFFFAOYSA-N", "dbo:casNumber": "2406-65-7", "skos:prefLabel": { "@language": "nl", "@value": "monobutyltin" }, "skos:broader": { "@id": "csc:CHEMONTID_0004150" }, "dbo:pubchem": { "@value": "16996", "@type": "xsd:int" }, "dbo:smiles": "CCCC[SnH3]", "dbo:formula": "C4H12Sn" }, { "@id": "csc:BAPJBEWLBFYGME-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "methylacrylaat" }, "dbo:pubchem": { "@value": "7294", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "96-33-3", "102256-29-1" ], "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dct:isReferencedBy": [ { "@id": "co:LUC_IV_004" }, { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_012" } ], "dbp:inchikey": "BAPJBEWLBFYGME-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004452" }, "rdfs:seeAlso": { "@id": "compound:7294" }, "dbo:iupacName": { "@language": "en", "@value": "methyl prop-2-enoate" }, "dbo:formula": "C4H6O2", "dbo:smiles": "COC(=O)C=C", "skos:notation": "C1yaclt", "dbo:inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" }, { "@id": "csc:YWBVHLJPRPCRSD-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "43079", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:43079" }, "dbo:casNumber": "59756-60-4", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one" }, "dbo:formula": "C19H14F3NO", "dbo:inchi": "InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3", "skos:broader": { "@id": "csc:CHEMONTID_0002317" }, "skos:notation": "flurdn", "dbp:inchikey": "YWBVHLJPRPCRSD-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "fluridon" } }, { "@id": "csc:WJNRPILHGGKWCK-UHFFFAOYSA-N", "skos:notation": "propzne", "skos:prefLabel": { "@language": "nl", "@value": "propazine" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0004734" }, "dbo:inchi": "InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)", "dbo:smiles": "CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "4937", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine" }, "skos:exactMatch": { "@id": "wise:CAS_139-40-2" }, "rdfs:seeAlso": { "@id": "compound:4937" }, "dbo:casNumber": "139-40-2", "dbp:inchikey": "WJNRPILHGGKWCK-UHFFFAOYSA-N", "dbo:formula": "C9H16ClN5" }, { "@id": "csc:KRRBFUJMQBDDPR-UHFFFAOYSA-N", "dbo:smiles": "CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N", "dbp:inchikey": "KRRBFUJMQBDDPR-UHFFFAOYSA-N", "dbo:formula": "C17H36N2", "dbo:iupacName": { "@language": "en", "@value": "tetrabutylazanium cyanide" }, "dbo:casNumber": [ "71887-25-7", "10442-39-4" ], "dbo:pubchem": { "@value": "165872", "@type": "xsd:int" }, "skos:notation": "T4C4yNH4CN", "dbo:inchi": "InChI=1S/C16H36N.CN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;/q+1;-1", "skos:prefLabel": { "@language": "nl", "@value": "tetrabutylammonium cyanide" }, "rdfs:seeAlso": { "@id": "compound:165872" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ] }, { "@id": "csc:FVAUCKIRQBBSSJ-UHFFFAOYSA-M", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "61456-04-0", "59216-98-7", "41927-88-2", "7681-82-5" ], "skos:notation": "NaI", "dbo:smiles": "[Na+].[I-]", "dbo:iupacName": { "@language": "en", "@value": "Sodium Iodide" }, "skos:broader": { "@id": "csc:CHEMONTID_0000565" }, "rdfs:seeAlso": { "@id": "compound:5238" }, "dbo:pubchem": { "@value": "5238", "@type": "xsd:int" }, "dbo:formula": "INa", "dbo:inchi": "InChI=1S/HI.Na/h1H;/q;+1/p-1", "skos:prefLabel": { "@language": "nl", "@value": "natriumjodide" }, "dbp:inchikey": "FVAUCKIRQBBSSJ-UHFFFAOYSA-M", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:UJBOOUHRTQVGRU-UHFFFAOYSA-N", "dbp:inchikey": "UJBOOUHRTQVGRU-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003487" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "3-methylcyclohexan-1-one" }, "dbo:casNumber": [ "625-96-7", "591-24-2", "24965-87-5" ], "dbo:smiles": "CC1CCCC(=O)C1", "dct:isReferencedBy": [ { "@id": "co:LUC_IV_007" }, { "@id": "co:LUC_IV_012" } ], "dbo:inchi": "InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "3-methylcyclohexanon" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "11567", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:11567" }, "dbo:formula": "C7H12O" }, { "@id": "csc:VIKNJXKGJWUCNN-XGXHKTLJSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "6230", "@type": "xsd:int" }, "dbp:inchikey": "VIKNJXKGJWUCNN-XGXHKTLJSA-N", "dbo:smiles": "CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34", "rdfs:seeAlso": { "@id": "compound:6230" }, "skos:prefLabel": { "@language": "nl", "@value": "norethisteron" }, "dbo:inchi": "InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one" }, "dbo:formula": "C20H26O2", "skos:broader": { "@id": "csc:CHEMONTID_0003570" }, "dbo:casNumber": "68-22-4", "skos:notation": "noretsrn" }, { "@id": "csc:OZHJEQVYCBTHJT-UHFFFAOYSA-N", "dbo:formula": "C7H3Br5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "OZHJEQVYCBTHJT-UHFFFAOYSA-N", "dbo:casNumber": [ "26101-97-3", "87-83-2" ], "skos:prefLabel": { "@language": "nl", "@value": "pentabroomtolueen" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "6906", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001098" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentabromo-6-methylbenzene" }, "dbo:smiles": "CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br", "rdfs:seeAlso": { "@id": "compound:6906" }, "dbo:inchi": "InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3" }, { "@id": "csc:JTUSORDQZVOEAZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "38881", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl", "dbo:formula": "C12H5Cl5", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:38881" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4-trichloro-5-(2,3-dichlorophenyl)benzene" }, "dbp:inchikey": "JTUSORDQZVOEAZ-UHFFFAOYSA-N", "dbo:casNumber": "41464-51-1", "skos:notation": "PCB97", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,4',5'-pentachloorbifenyl" }, "dbo:inchi": "InChI=1S/C12H5Cl5/c13-8-3-1-2-6(12(8)17)7-4-10(15)11(16)5-9(7)14/h1-5H", "skos:broader": { "@id": "csc:CHEMONTID_0003030" } }, { "@id": "csc:CUDYYMUUJHLCGZ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H16O3/c1-6(4-8)10-5-7(2)9-3/h6-8H,4-5H2,1-3H3", "dbo:casNumber": [ "13588-28-8", "112388-78-0", "83730-60-3", "197632-43-2", "12002-35-6", "104512-57-4", "34590-94-8" ], "skos:notation": [ "22C1oxC3ox1C", "DC3yegcC1yEt" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2-methoxypropoxy)propan-1-ol" }, "dbo:smiles": "CC(CO)OCC(C)OC", "rdfs:seeAlso": { "@id": "compound:25485" }, "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "skos:altLabel": { "@language": "nl", "@value": "2-(2-methoxypropoxy)-1-propanol" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "dipropyleenglycolmonomethylether" }, "dbo:formula": "C7H16O3", "dbp:inchikey": "CUDYYMUUJHLCGZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "25485", "@type": "xsd:int" } }, { "@id": "csc:JMIXTHMPTMXARZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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)", "skos:prefLabel": { "@language": "nl", "@value": "Perfluor-n-tridecaansulfonzuur" }, "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", "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" }, "skos:broader": { "@id": "csc:CHEMONTID_0003961" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "JMIXTHMPTMXARZ-UHFFFAOYSA-N", "skos:notation": "PFTrDS", "dbo:pubchem": { "@value": "21964789", "@type": "xsd:int" }, "dbo:casNumber": "791563-89-8", "dbo:formula": "C13HF27O3S", "rdfs:seeAlso": { "@id": "compound:21964789" } }, { "@id": "csc:QBAYIBZITZBSFO-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:67759" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "360-64-5", "dbo:smiles": "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0004551" }, "dbo:pubchem": { "@value": "67759", "@type": "xsd:int" }, "dbp:inchikey": "QBAYIBZITZBSFO-UHFFFAOYSA-N", "skos:notation": "2TFC1yBenAd", "dbo:inchi": "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)", "dbo:iupacName": { "@language": "en", "@value": "2-(Trifluoromethyl)benzamide" }, "dbo:formula": "C8H6F3NO", "skos:prefLabel": { "@language": "nl", "@value": "2-trifluoromethylbenzamide" } }, { "@id": "csc:VYZAMTAEIAYCRO-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" } ], "dbo:casNumber": [ "7440-47-3", "19498-56-7", "195161-82-1", "188785-87-7" ], "skos:notation": "Cr", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II D5 'chroom en zijn verbindingen uitgedrukt in Cr' en 'chroom en chroomverbindingen, uitgedrukt als chroom (Cr)'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'chroom en zijn verbindingen, uitgedrukt in Cr'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Cr'" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Cr", "dbo:formula": "Cr", "dbo:pubchem": { "@value": "23976", "@type": "xsd:int" }, "dbo:smiles": "[Cr]", "rdfs:seeAlso": { "@id": "compound:23976" }, "skos:altLabel": { "@language": "nl", "@value": "chroom (Cr)" }, "dbp:inchikey": "VYZAMTAEIAYCRO-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Chromium" }, "skos:definition": { "@language": "nl", "@value": "chroom en chroomverbindingen, uitgedrukt als chroom (Cr)" }, "skos:prefLabel": { "@language": "nl", "@value": "chroom" }, "skos:exactMatch": { "@id": "wise:CAS_7440-47-3" } }, { "@id": "csc:DAIIXVPKQATIMF-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "DAIIXVPKQATIMF-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2,2-TRICHLOROPROPANE" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C3H5Cl3", "dbo:pubchem": { "@value": "18505", "@type": "xsd:int" }, "skos:notation": "122TClC3a", "dbo:inchi": "InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "1,2,2-trichloorpropaan" }, "rdfs:seeAlso": { "@id": "compound:18505" }, "dbo:smiles": "CC(CCl)(Cl)Cl", "dbo:casNumber": "3175-23-3" }, { "@id": "csc:SPFYMRJSYKOXGV-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:71188" }, "dbo:pubchem": { "@value": "71188", "@type": "xsd:int" }, "dbp:inchikey": "SPFYMRJSYKOXGV-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "enrofloxacine" }, "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "dbo:inchi": "InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C19H22FN3O3", "skos:notation": "enrfxcne", "dbo:casNumber": "93106-60-6", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid" }, "dbo:smiles": "CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F" }, { "@id": "csc:KZBUYRJDOAKODT-UHFFFAOYSA-N", "dbp:inchikey": "KZBUYRJDOAKODT-UHFFFAOYSA-N", "dbo:smiles": "ClCl", "dbo:pubchem": { "@value": "24526", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "chloor" }, "dct:isReferencedBy": { "@id": "co:LUC_III_002" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'chloorgas, uitgedrukt als Cl2'" }, { "@language": "nl", "@value": "VLAR II (D5)" }, { "@language": "nl", "@value": "VLAR III (D3) 'chloorgas'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'chloorgas'" }, { "@language": "nl", "@value": "VLAR III (D3) 'chloor, uitgedrukt als Cl2'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.1" } ], "skos:notation": "Cl2", "dbo:formula": "Cl2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000432" }, "dbo:casNumber": "7782-50-5", "rdfs:seeAlso": { "@id": "compound:24526" }, "skos:prefLabel": { "@language": "nl", "@value": "dichloor" }, "dbo:iupacName": { "@language": "en", "@value": "Molecular chlorine" }, "dbo:inchi": "InChI=1S/Cl2/c1-2" }, { "@id": "csc:JZQKKSLKJUAGIC-UHFFFAOYSA-N", "dbo:casNumber": [ "13523-86-9", "21870-06-4" ], "skos:prefLabel": { "@language": "nl", "@value": "pindolol" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol" }, "rdfs:seeAlso": { "@id": "compound:4828" }, "skos:broader": { "@id": "csc:CHEMONTID_0002497" }, "dbo:smiles": "CC(C)NCC(COC1=CC=CC2=C1C=CN2)O", "dbo:formula": "C14H20N2O2", "dbo:pubchem": { "@value": "4828", "@type": "xsd:int" }, "skos:notation": "pindll", "dbp:inchikey": "JZQKKSLKJUAGIC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3" }, { "@id": "csc:KHSLHYAUZSPBIU-UHFFFAOYSA-M", "dbo:inchi": "InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1", "skos:broader": { "@id": "csc:CHEMONTID_0003976" }, "skos:notation": "DDBAB", "dbo:iupacName": { "@language": "en", "@value": "benzyl-dodecyl-dimethylazanium bromide" }, "dbo:formula": "C21H38BrN", "skos:prefLabel": { "@language": "nl", "@value": "dodecyldimethylbenzylammoniumbromide" }, "rdfs:seeAlso": { "@id": "compound:23705" }, "dbo:casNumber": "7281-04-1", "dbo:smiles": "CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "23705", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "KHSLHYAUZSPBIU-UHFFFAOYSA-M" }, { "@id": "csc:WOWHHFRSBJGXCM-UHFFFAOYSA-M", "dbo:casNumber": [ "139272-33-6", "79728-63-5", "68002-63-1", "112-02-7", "53023-95-3", "146909-27-5" ], "dbo:inchi": "InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]", "dbo:pubchem": { "@value": "8154", "@type": "xsd:int" }, "dbo:formula": "C19H42ClN", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "hexadecyltrimethylammoniumchloride" }, "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "rdfs:seeAlso": { "@id": "compound:8154" }, "skos:notation": "C16ylTC1ylNH", "dbp:inchikey": "WOWHHFRSBJGXCM-UHFFFAOYSA-M", "dbo:iupacName": { "@language": "en", "@value": "hexadecyl-trimethylazanium chloride" } }, { "@id": "csc:ZUSHSDOEVHPTCU-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl", "dbo:formula": "C10H7ClN2O", "dbp:inchikey": "ZUSHSDOEVHPTCU-UHFFFAOYSA-N", "skos:notation": "pyrdfl", "dbo:pubchem": { "@value": "92316", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "pyridafol" }, "rdfs:seeAlso": { "@id": "compound:92316" }, "dbo:casNumber": "40020-01-7", "dbo:iupacName": { "@language": "en", "@value": "6-chloro-3-phenyl-1H-pyridazin-4-one" }, "skos:broader": { "@id": "csc:CHEMONTID_0004147" }, "dbo:inchi": "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" }, { "@id": "csc:QXJKBPAVAHBARF-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3", "dbo:smiles": "CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C", "dbp:inchikey": "QXJKBPAVAHBARF-UHFFFAOYSA-N", "skos:notation": "procmdn", "dbo:casNumber": [ "68444-90-6", "60120-20-9", "32809-16-8" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "procymidon" }, "dbo:pubchem": { "@value": "36242", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:36242" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C13H11Cl2NO2", "skos:broader": { "@id": "csc:CHEMONTID_0000303" }, "dbo:iupacName": { "@language": "en", "@value": "3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione" } }, { "@id": "csc:XUKUURHRXDUEBC-KAYWLYCHSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0002695" }, "rdfs:seeAlso": { "@id": "compound:60823" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid" }, "dbo:formula": "C33H35FN2O5", "dbo:casNumber": "134523-00-5", "dbo:inchi": "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1", "dbo:smiles": "CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4", "dbp:inchikey": "XUKUURHRXDUEBC-KAYWLYCHSA-N", "dbo:pubchem": { "@value": "60823", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "atorvastatine" }, "skos:notation": "atvttne" }, { "@id": "csc:SUKJFIGYRHOWBL-UHFFFAOYSA-N", "dbo:casNumber": [ "7681-52-9", "227453-69-2", "8007-59-8", "56172-57-7" ], "dbo:formula": "ClNaO", "dbo:smiles": "[O-]Cl.[Na+]", "skos:prefLabel": { "@language": "nl", "@value": "natriumhypochloriet" }, "rdfs:seeAlso": { "@id": "compound:24340" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "SODIUM HYPOCHLORITE" }, "dbp:inchikey": "SUKJFIGYRHOWBL-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/ClO.Na/c1-2;/q-1;+1", "skos:broader": { "@id": "csc:CHEMONTID_0000640" }, "skos:notation": "NaOCl", "dbo:pubchem": { "@value": "24340", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:RWGFKTVRMDUZSP-UHFFFAOYSA-N", "dbo:casNumber": [ "68333-89-1", "144637-93-4", "172867-64-0", "56748-62-0", "63849-49-0", "98444-30-5", "68411-37-0", "9044-64-8", "40494-15-3", "58033-91-3", "86090-91-7", "9055-91-8", "172641-48-4", "60120-16-3", "55465-00-4", "60880-98-0", "53112-49-5", "39470-87-6", "52932-49-7", "57657-06-4", "61584-90-5", "61584-89-2", "12627-11-1", "51609-83-7", "120037-99-2", "98-82-8", "51609-87-1", "11120-46-0", "105270-05-1", "56451-72-0", "117079-77-3", "53986-84-8", "55128-06-8", "68553-94-6", "60328-46-3", "54596-41-7", "81834-12-0" ], "dbp:inchikey": "RWGFKTVRMDUZSP-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "cumn", "dct:isReferencedBy": [ { "@id": "co:LUC_IV_001" }, { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_011" } ], "skos:prefLabel": { "@language": "nl", "@value": "cumeen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": [ { "@language": "nl", "@value": "isopropylbenzeen" }, { "@language": "nl", "@value": "isopropylbenzeen (cumeen)" } ], "dbo:smiles": "CC(C)C1=CC=CC=C1", "dbo:iupacName": { "@language": "en", "@value": "cumene" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3", "skos:broader": { "@id": "csc:CHEMONTID_0000355" }, "rdfs:seeAlso": { "@id": "compound:7406" }, "skos:exactMatch": { "@id": "wise:CAS_98-82-8" }, "dbo:pubchem": { "@value": "7406", "@type": "xsd:int" }, "dbo:formula": "C9H12" }, { "@id": "csc:CUONGYYJJVDODC-UHFFFAOYSA-N", "dbo:casNumber": [ "109-77-3", "144804-99-9" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "CUONGYYJJVDODC-UHFFFAOYSA-N", "dbo:smiles": "C(C#N)C#N", "skos:prefLabel": { "@language": "nl", "@value": "malononitril" }, "dbo:formula": "C3H2N2", "skos:notation": "malnntl", "dbo:inchi": "InChI=1S/C3H2N2/c4-2-1-3-5/h1H2", "dbo:iupacName": { "@language": "en", "@value": "Propanedinitrile" }, "rdfs:seeAlso": { "@id": "compound:8010" }, "dbo:pubchem": { "@value": "8010", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000362" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:GUBGYTABKSRVRQ-UHFFFAOYSA-N", "dbo:casNumber": [ "13360-52-6", "63-42-3", "69-79-4", "16462-44-5", "528-50-7" ], "dbp:inchikey": "GUBGYTABKSRVRQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002207" }, "dbo:iupacName": { "@language": "en", "@value": "2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol" }, "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:formula": "C12H22O11", "skos:notation": "lactse", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "294", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "lactose" }, "rdfs:seeAlso": { "@id": "compound:294" }, "dbo:smiles": "C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O" }, { "@id": "csc:LLWADFLAOKUBDR-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "4-(4-chloor-2-methylfenoxy)boterzuur" }, { "@language": "nl", "@value": "4-(4-chloro-2-methylfenoxy)boterzuur (mcpb)" } ], "skos:notation": "MCPB", "dbp:inchikey": "LLWADFLAOKUBDR-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "skos:exactMatch": { "@id": "wise:CAS_94-81-5" }, "dbo:formula": "C11H13ClO3", "dbo:inchi": "InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)", "dbo:smiles": "CC1=C(C=CC(=C1)Cl)OCCCC(=O)O", "rdfs:seeAlso": { "@id": "compound:7207" }, "dbo:casNumber": "94-81-5", "skos:prefLabel": { "@language": "nl", "@value": "2-methyl-4-chloorfenoxyboterzuur" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "4-(4-Chloro-2-methylphenoxy)butanoic acid" }, "dbo:pubchem": { "@value": "7207", "@type": "xsd:int" } }, { "@id": "csc:FDIPWBUDOCPIMH-UHFFFAOYSA-N", "dbo:formula": "C16H26O", "dbo:inchi": "InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14,17H,2-9,12H2,1H3", "dbo:pubchem": { "@value": "3032831", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004647" }, "dbo:iupacName": { "@language": "en", "@value": "2-decylphenol" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "decylfenol" }, "dbo:smiles": "CCCCCCCCCCC1=CC=CC=C1O", "rdfs:seeAlso": { "@id": "compound:3032831" }, "dbp:inchikey": "FDIPWBUDOCPIMH-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "27157-66-0" }, { "@id": "csc:HEMJJKBWTPKOJG-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O", "dbp:inchikey": "HEMJJKBWTPKOJG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": "25812-30-0", "skos:prefLabel": { "@language": "nl", "@value": "gemfibrozil" }, "dbo:pubchem": { "@value": "3463", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid" }, "dbo:formula": "C15H22O3", "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "skos:notation": "gemfbzl", "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)", "rdfs:seeAlso": { "@id": "compound:3463" } 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"@language": "nl", "@value": "di-isopentylftalaat" }, "dbo:iupacName": { "@language": "en", "@value": "bis(3-methylbutyl) benzene-1,2-dicarboxylate" } }, { "@id": "csc:ZDYYWMSLMLTXDM-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "14550408", "@type": "xsd:int" }, "dbo:formula": "C16H9F26O4P", "skos:notation": "6:2 diPAP", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0003459" }, "rdfs:seeAlso": { "@id": "compound:14550408" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "57677-95-9", "dbp:inchikey": "ZDYYWMSLMLTXDM-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)", "dbo:smiles": "C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F", "skos:prefLabel": { "@language": "nl", "@value": "6:2 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"OORLZFUTLGXMEF-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003314" } }, { "@id": "csc:LMKQNTMFZLAJDV-UHFFFAOYSA-N", "dbo:casNumber": "30125-63-4", "dbp:inchikey": "LMKQNTMFZLAJDV-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "CC(C)(C)NC1=NC(=NC(=N1)N)Cl", "skos:prefLabel": { "@language": "nl", "@value": "desethylterbutylazine" }, "skos:notation": "desC2ytC4yaz", "dbo:formula": "C7H12ClN5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_30125-63-4" }, "rdfs:seeAlso": { "@id": "compound:108201" }, "skos:broader": { "@id": "csc:CHEMONTID_0001693" }, "dbo:pubchem": { "@value": "108201", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" } }, { "@id": "csc:UUSQFLGKGQEVCM-UHFFFAOYSA-M", "dbp:inchikey": 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"@id": "co:CMA_2_I_C.2.3" }, { "@id": "co:WAC_III_C_030" }, { "@id": "co:WAC_III_D_036" }, { "@id": "co:CMA_2_I_C.2.1" }, { "@id": "co:CMA_2_I_C.2.2" } ], "dbo:inchi": "InChI=1S/CN/c1-2/q-1", "dbp:inchikey": "XFXPMWWXUTWYJX-UHFFFAOYSA-N", "dbo:formula": "CN-", "skos:prefLabel": { "@language": "nl", "@value": "cyanide" }, "rdfs:seeAlso": { "@id": "compound:5975" }, "dbo:pubchem": { "@value": "5975", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_57-12-5" }, "dbo:iupacName": { "@language": "en", "@value": "Cyanide" }, "skos:broader": { "@id": "csc:CHEMONTID_0000553" }, "skos:notation": "CN", "dbo:casNumber": [ "57-12-5", "373-51-3" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "[C-]#N" }, { "@id": "csc:GBIHOLCMZGAKNG-UHFFFAOYSA-N", "dbp:inchikey": "GBIHOLCMZGAKNG-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C26H23F2NO4", "dbo:inchi": "InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3", "dbo:smiles": "CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "[cyano-[3-(phenoxy)phenyl]methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate" }, "dbo:pubchem": { "@value": "50980", "@type": "xsd:int" }, "dbo:casNumber": [ "70124-77-5", "71611-31-9" ], "skos:notation": "fluctnt", "skos:broader": { "@id": "csc:CHEMONTID_0001461" }, "skos:prefLabel": { "@language": "nl", "@value": "flucythrinaat" }, "rdfs:seeAlso": { "@id": "compound:50980" } }, { "@id": "csc:JIAARYAFYJHUJI-UHFFFAOYSA-L", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "53917-99-0", "7646-85-7" ], "rdfs:seeAlso": { "@id": "compound:5727" }, "dbo:smiles": "Cl[Zn]Cl", "skos:prefLabel": { "@language": "nl", "@value": "zinkchloride" }, "dbo:inchi": "InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2", "dbo:iupacName": { "@language": "en", "@value": "['Zinc dichloride', 'dichlorozinc']" }, "dbo:formula": "Cl2Zn", "skos:notation": "ZnCl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000588" }, "dbo:pubchem": { "@value": "5727", "@type": "xsd:int" }, "dbp:inchikey": "JIAARYAFYJHUJI-UHFFFAOYSA-L" }, { "@id": "csc:IVJISJACKSSFGE-UHFFFAOYSA-N", "dbo:casNumber": [ "59588-07-7", "68002-21-1", "68955-24-8", "68002-24-4", "68037-27-4", "68036-97-5", "68002-20-0", "68511-75-1", "59588-08-8", "68002-25-5", "68511-73-9" ], "rdfs:seeAlso": { "@id": "compound:93374" }, "dbo:smiles": "C=O.C1(=NC(=NC(=N1)N)N)N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "93374", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C4H8N6O", "dbp:inchikey": "IVJISJACKSSFGE-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "melamine, polymeer met formaldehyde en methanol" }, "dbo:iupacName": { "@language": "en", "@value": "formaldehyde; 1,3,5-triazine-2,4,6-triamine" }, "skos:broader": { "@id": "csc:CHEMONTID_0001831" }, "skos:notation": "melmnplmmfAh", "dbo:inchi": "InChI=1S/C3H6N6.CH2O/c4-1-7-2(5)9-3(6)8-1;1-2/h(H6,4,5,6,7,8,9);1H2" }, { "@id": "csc:YBGZDTIWKVFICR-JLHYYAGUSA-N", "rdfs:seeAlso": { "@id": "compound:5355130" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "155867-04-2", "5466-77-3" ], "dbo:iupacName": { "@language": "en", "@value": "['2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate', '2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate']" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C18H26O3", "skos:exactMatch": { "@id": "wise:CAS_5466-77-3" }, "dbo:smiles": "CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC", "skos:altLabel": { "@language": "nl", "@value": "2-ethylhexyl-4-methoxycinnamaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0003480" }, "dbo:pubchem": { "@value": "5355130", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "octinoxaat" }, "dbo:inchi": "InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+", "dbp:inchikey": "YBGZDTIWKVFICR-JLHYYAGUSA-N", "skos:notation": "2C2yC6y4C1ox" }, { "@id": "csc:PLGQWYOULXPJRE-UHFFFAOYSA-N", "skos:notation": "mebvrnHCL", "skos:broader": { "@id": "csc:CHEMONTID_0002346" }, "dbp:inchikey": "PLGQWYOULXPJRE-UHFFFAOYSA-N", "dbo:casNumber": [ "2753-45-9", "3625-06-7" ], "rdfs:seeAlso": { "@id": "compound:17683" }, "dbo:inchi": "InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "['4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate; hydron; chloride', '4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate hydrochloride']" }, "skos:prefLabel": { "@language": "nl", "@value": "mebeverine hydrochloride" }, "dbo:formula": "C25H36ClNO5", "dbo:pubchem": { "@value": "17683", "@type": "xsd:int" } }, { "@id": "csc:ZPEIMTDSQAKGNT-UHFFFAOYSA-N", "dbo:casNumber": [ "34468-21-8", "50-53-3" ], "dbo:formula": "C17H19ClN2S", "dbp:inchikey": "ZPEIMTDSQAKGNT-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl", "dbo:pubchem": { "@value": "2726", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000310" }, "skos:notation": "Clpmzne", "dbo:iupacName": { "@language": "en", 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"csc:CHEMONTID_0004091" }, "skos:prefLabel": { "@language": "nl", "@value": "nitroglycerine" }, "dbo:inchi": "InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2", "dbo:casNumber": [ "80066-48-4", "55-63-0", "105469-31-6", "8013-23-8", "9010-02-0" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]", "dbo:iupacName": { "@language": "en", "@value": "1,3-dinitrooxypropan-2-yl nitrate" }, "rdfs:seeAlso": { "@id": "compound:4510" } }, { "@id": "csc:HAPOJKSPCGLOOD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C17H12", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:9201" }, "dbo:smiles": "C1C2=CC=CC=C2C3=CC4=CC=CC=C4C=C31", "skos:broader": { "@id": "csc:CHEMONTID_0000020" }, "dbo:iupacName": { "@language": "en", "@value": "11H-Benzo[b]fluorene" }, "dbo:casNumber": [ "243-17-4", 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"@value": "3736", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N'-methylbenzene-1,3-dicarboxamide" }, "skos:broader": { "@id": "csc:CHEMONTID_0003100" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "jopmde", "dbo:casNumber": "73334-07-3" }, { "@id": "csc:LFULEKSKNZEWOE-UHFFFAOYSA-N", "dbp:inchikey": "LFULEKSKNZEWOE-UHFFFAOYSA-N", "dbo:smiles": "CCC(=O)NC1=CC(=C(C=C1)Cl)Cl", "skos:exactMatch": { "@id": "wise:CAS_709-98-8" }, "dbo:casNumber": [ "709-98-8", "11096-32-5", "110343-36-7" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C9H9Cl2NO", "skos:broader": { "@id": "csc:CHEMONTID_0000285" }, "skos:notation": "propnl", "dbo:pubchem": { "@value": "4933", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:4933" }, "skos:prefLabel": { "@language": "nl", "@value": "propanil" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)", "dbo:iupacName": { "@language": "en", "@value": "N-(3,4-Dichlorophenyl)propanamide" } }, { "@id": "csc:GSDSWSVVBLHKDQ-UHFFFAOYSA-N", "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)", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "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" }, "rdfs:seeAlso": { "@id": "compound:4583" }, "dbo:casNumber": [ "83380-47-6", "85344-55-4", "82419-36-1" ], "skos:notation": "ofxcne", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "4583", "@type": "xsd:int" }, "dbo:formula": "C18H20FN3O4", "dbo:smiles": "CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O", "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "dbp:inchikey": "GSDSWSVVBLHKDQ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "ofloxacine" } }, { "@id": "csc:PHNUZKMIPFFYSO-UHFFFAOYSA-N", "dbp:inchikey": "PHNUZKMIPFFYSO-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "66393-62-2", "11097-12-4", "23950-58-5", "11097-11-3" ], "rdfs:seeAlso": { "@id": "compound:32154" }, "dbo:formula": "C12H11Cl2NO", "skos:prefLabel": { "@language": "nl", "@value": "propyzamide" }, "dbo:iupacName": { "@language": "en", "@value": "3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide" }, "dbo:pubchem": { "@value": "32154", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "propAd", "dbo:smiles": "CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl", "skos:exactMatch": { "@id": "wise:CAS_23950-58-5" }, "dbo:inchi": "InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)", "skos:broader": { "@id": "csc:CHEMONTID_0003099" } }, { "@id": "csc:LULLIKNODDLMDQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "104734", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "[As+3]", "dbo:iupacName": { "@language": "en", "@value": "arsenic(+3) cation" }, "skos:broader": { "@id": "csc:CHEMONTID_0000431" }, "dbo:casNumber": "22541-54-4", "rdfs:seeAlso": { "@id": "compound:104734" }, "dbp:inchikey": "LULLIKNODDLMDQ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/As/q+3", "skos:notation": "AsIII", "skos:prefLabel": { "@language": "nl", "@value": "arseen (driewaardig)" }, "dbo:formula": "As+3" }, { "@id": "csc:CYTYCFOTNPOANT-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "dbo:smiles": "C(=C(Cl)Cl)(Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,1,2,2-Tetrachloroethene" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "T4ClC2e", "dbo:inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6", "rdfs:seeAlso": { "@id": "compound:31373" }, "skos:altLabel": [ { "@language": "nl", "@value": "tetrachlooretheen" }, { "@language": "nl", "@value": "per (perchloorethyleen)" }, { "@language": "nl", "@value": "tetrachlooretheen (per)" }, { "@language": "nl", "@value": "tetrachloorethyleen (per)" } ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'tetrachloorethyleen'" }, { "@language": "nl", "@value": "VLAR II Art. 5.4.3.1.4 'perchloorethyleen'" }, { "@language": "nl", "@value": " (PER bij droogkuis), 'tetrachloorethyleen', 'tetrachloorethyleen'" } ], "dbo:casNumber": "127-18-4", "dct:isReferencedBy": [ { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_II_002" }, { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_002" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_127-18-4" }, "dbo:pubchem": { "@value": "31373", "@type": "xsd:int" }, "dbo:formula": "C2Cl4", "skos:prefLabel": { "@language": "nl", "@value": "PER (perchloorethyleen)" }, "dbp:inchikey": "CYTYCFOTNPOANT-UHFFFAOYSA-N" }, { "@id": "csc:QAOWNCQODCNURD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "13537-15-0", "7664-93-9", "12772-98-4", "140623-70-7", "119540-51-1", "127529-01-5" ], "skos:broader": { "@id": "csc:CHEMONTID_0001077" }, "skos:prefLabel": { "@language": "nl", "@value": "zwavelzuur" }, "dbo:pubchem": { "@value": "1118", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'" }, { "@language": "nl", "@value": "VLAR III (D3) 'zwavelzuur'" } ], "skos:altLabel": { "@language": "nl", "@value": "zwavelzuur (H2SO4)" }, "skos:notation": "H2SO4", "dbo:iupacName": { "@language": "en", "@value": "Sulfuric acid" }, "dct:isReferencedBy": { "@id": "co:LUC_III_008" }, "dbo:smiles": "OS(=O)(=O)O", "dbp:inchikey": "QAOWNCQODCNURD-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:1118" }, "dbo:formula": "H2O4S" }, { "@id": "csc:WRZOMWDJOLIVQP-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7260", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0003964" }, "rdfs:seeAlso": { "@id": "compound:7260" }, "dbo:smiles": "CC1=C(C=C(C=C1)Cl)N", "dbo:casNumber": "95-79-4", "dbo:inchi": "InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3", "dbo:formula": "C7H8ClN", "skos:notation": "5Cl2C1yAn", "skos:prefLabel": { "@language": "nl", "@value": "5-chloor-2-methylaniline" }, "dbo:iupacName": { "@language": "en", "@value": "5-Chloro-2-methylaniline" }, "dbp:inchikey": "WRZOMWDJOLIVQP-UHFFFAOYSA-N" }, { "@id": "csc:KLGMSAOQDHLCOS-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "mecarbam" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate" }, "skos:notation": "mecbm", "dbo:pubchem": { "@value": "17434", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004164" }, "rdfs:seeAlso": { "@id": "compound:17434" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C10H20NO5PS2", "dbp:inchikey": "KLGMSAOQDHLCOS-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3", "dbo:smiles": "CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC", "dbo:casNumber": "2595-54-2" }, { "@id": "csc:SNMVRZFUUCLYTO-UHFFFAOYSA-N", "dbp:inchikey": "SNMVRZFUUCLYTO-UHFFFAOYSA-N", "dbo:casNumber": "540-54-5", "dbo:iupacName": { "@language": "en", "@value": "1-CHLOROPROPANE" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:notation": "1ClC3a", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "10899", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:10899" }, "skos:prefLabel": { "@language": "nl", "@value": "1-chloorpropaan" }, "dbo:inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3", "dbo:smiles": "CCCCl", "dbo:formula": "C3H7Cl" }, { "@id": "csc:JRMUNVKIHCOMHV-UHFFFAOYSA-M", "rdfs:seeAlso": { "@id": "compound:74236" }, "dbp:inchikey": "JRMUNVKIHCOMHV-UHFFFAOYSA-M", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "skos:notation": "T4C4yNH4Br", "dbo:smiles": "CCCC[N+](CCCC)(CCCC)CCCC.[Br-]", "dbo:iupacName": { "@language": "en", "@value": "tetrabutylazanium bromide" }, "dbo:casNumber": [ "65129-09-1", "1643-19-2", "65129-13-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1", "dbo:pubchem": { "@value": "74236", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "tetrabutylammonium bromide" }, "dbo:formula": "C16H36BrN" }, { "@id": "csc:XJIXIEBYTLLFCV-FAISOMDOSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "6211-15-0", "92004-19-8", "57-27-2", "66591-53-5" ], "dbo:iupacName": { "@language": "en", "@value": "(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;sulfuric acid;pentahydrate" }, "dbo:pubchem": { "@value": "6436139", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.O.O.O.O.O.OS(=O)(=O)O", "rdfs:seeAlso": { "@id": "compound:6436139" }, "skos:notation": "morfne", "dbp:inchikey": "XJIXIEBYTLLFCV-FAISOMDOSA-N", "dbo:inchi": "InChI=1S/C17H19NO3.H2O4S.5H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t10-,11+,13-,16-,17-;;;;;;/m0....../s1", "skos:broader": { "@id": "csc:CHEMONTID_0000058" }, "skos:prefLabel": { "@language": "nl", "@value": "morfine" }, "dbo:formula": "C17H31NO12S" }, { "@id": "csc:WSSMOXHYUFMBLS-UHFFFAOYSA-L", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "7758-94-3", "13478-10-9" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2", "skos:prefLabel": { "@language": "nl", "@value": "ijzer(ii)chloride" }, "skos:altLabel": { "@language": "nl", "@value": "ijzer(II)chloride" }, "dbo:iupacName": { "@language": "en", "@value": "iron(2+);dichloride;tetrahydrate" }, "skos:notation": "FeCl2", "rdfs:seeAlso": { "@id": "compound:26063" }, "dbo:formula": "Cl2FeH8O4", "skos:broader": { "@id": "csc:CHEMONTID_0000588" }, "dbp:inchikey": "WSSMOXHYUFMBLS-UHFFFAOYSA-L", "dbo:smiles": "O.O.O.O.[Cl-].[Cl-].[Fe+2]", "dbo:pubchem": { "@value": "26063", "@type": "xsd:int" } }, { "@id": "csc:NIJJYAXOARWZEE-UHFFFAOYSA-N", "skos:notation": "valpinzr", "dbo:smiles": "CCCC(CCC)C(=O)O", "rdfs:seeAlso": { "@id": "compound:3121" }, "dbo:iupacName": { "@language": "en", "@value": "2-Propylpentanoic acid" }, "dbo:casNumber": [ "99-66-1", "117039-65-3" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "valproinezuur" }, "dbo:inchi": "InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)", "skos:broader": { "@id": "csc:CHEMONTID_0003544" }, "dbo:pubchem": { "@value": "3121", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C8H16O2", "dbp:inchikey": 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"compound:12468" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "QZYNWJQFTJXIRN-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H", "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,5-tetrachloorbenzeen" }, "skos:notation": "1235T4ClBen", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,5-Tetrachlorobenzene" } }, { "@id": "csc:ZAXXZBQODQDCOW-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-methoxypropyl acetate" }, "dbo:inchi": "InChI=1S/C6H12O3/c1-4-6(8-3)9-5(2)7/h6H,4H2,1-3H3", "dbo:smiles": "CCC(OC)OC(=O)C", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "1-methoxypropylacetaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0001238" }, "dbp:inchikey": "ZAXXZBQODQDCOW-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "3033863", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:3033863" }, "dbo:formula": "C6H12O3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "C1oxC3yactt", "dbo:casNumber": "84540-57-8" }, { "@id": "csc:NRNWARROUIEBPJ-UHFFFAOYSA-N", "dbo:formula": "0", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "chloro-tri(phenyl)stannane" }, "dbo:smiles": "0", "skos:prefLabel": { "@language": "nl", "@value": "trifenyltinchloride" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "NRNWARROUIEBPJ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/3C6H5.Cl.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;;", "dbo:casNumber": "639-58-7" }, { "@id": "csc:VGPIBGGRCVEHQZ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3", "skos:prefLabel": { "@language": "nl", "@value": "bitertanol" }, "rdfs:seeAlso": { "@id": "compound:91656" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol" }, "dbo:pubchem": { "@value": "91656", "@type": "xsd:int" }, "dbo:smiles": "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O", "skos:notation": "bittnl", "dbo:formula": "C20H23N3O2", "dbo:casNumber": "55179-31-2", "dbp:inchikey": "VGPIBGGRCVEHQZ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000041" } }, { "@id": "csc:AYAPZOUDXCDGIF-FRFVDRIFSA-M", "dbp:inchikey": "AYAPZOUDXCDGIF-FRFVDRIFSA-M", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C21H21N2NaO5S", "dbo:casNumber": [ "147-52-4", "985-16-0" ], "skos:broader": { "@id": "csc:CHEMONTID_0001189" }, "skos:notation": "nafclne", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "64712", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:64712" }, "dbo:smiles": 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"dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "14265-71-5", "skos:prefLabel": { "@language": "nl", "@value": "seleen 75" }, "dbo:pubchem": { "@value": "6328176", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Se", "skos:notation": "Se75", "dbp:inchikey": "BUGBHKTXTAQXES-AHCXROLUSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000434" } }, { "@id": "csc:DDXLVDQZPFLQMZ-UHFFFAOYSA-M", "skos:notation": "C12ylTC1ylNH", "dbo:casNumber": [ "71061-07-9", "10182-91-9", "112-00-5", "59680-23-8", "37293-08-6", "37380-56-6", "108779-79-9", "62395-69-1" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "dbo:iupacName": { "@language": "en", "@value": "dodecyl-trimethylazanium chloride" }, "dbo:smiles": "CCCCCCCCCCCC[N+](C)(C)C.[Cl-]", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C15H34ClN", "dbo:pubchem": { "@value": "8152", "@type": 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"tetramethylbenzeen" } }, { "@id": "csc:HKOIXWVRNLGFOR-YANNOFPNSA-N", "dbo:inchi": "InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10?,11-,12?,16?,17+/m1/s1", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C17H19NO3", "skos:notation": "norcdine", "dbp:inchikey": "HKOIXWVRNLGFOR-YANNOFPNSA-N", "dbo:iupacName": { "@language": "en", "@value": "(4R,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol" }, "rdfs:seeAlso": { "@id": "compound:5359402" }, "dbo:smiles": "COC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(C=C5)O)C=C1", "dbo:pubchem": { "@value": "5359402", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "norcodeine" }, "dbo:casNumber": "467-15-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000058" } }, { "@id": "csc:FFCCBBNQPIMUJI-UHFFFAOYSA-N", "dbo:inchi": 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"dbo:inchi": "InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2", "skos:prefLabel": { "@language": "nl", "@value": "nitrosonornicotine" } }, { "@id": "csc:DMVOXQPQNTYEKQ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC=C(C=C1)C2=CC=C(C=C2)N", "rdfs:seeAlso": { "@id": "compound:7102" }, "dbo:formula": "C12H11N", "skos:notation": "4AoDFy", "skos:prefLabel": { "@language": "nl", "@value": "4-aminodifenyl" }, "dbo:iupacName": { "@language": "en", "@value": "4-Phenylaniline" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "7102", "@type": "xsd:int" }, "dbp:inchikey": "DMVOXQPQNTYEKQ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000041" }, "dbo:casNumber": "92-67-1", "dbo:inchi": "InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2" }, { "@id": "csc:SZIFAVKTNFCBPC-UHFFFAOYSA-N", "dbo:casNumber": [ "1867-09-0", "59826-67-4", "107-07-3" ], "skos:prefLabel": { "@language": "nl", "@value": "2-chloorethanol" }, "skos:exactMatch": { "@id": "wise:CAS_107-07-3" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002608" }, "dbo:pubchem": { "@value": "34", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:34" }, "skos:notation": "2ClC2ol", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C2H5ClO", "dbp:inchikey": "SZIFAVKTNFCBPC-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2", "dbo:smiles": "C(CCl)O", "dbo:iupacName": { "@language": "en", "@value": "['2-CHLOROETHANOL', '2-chloroethynol']" } }, { "@id": "csc:BHIWKHZACMWKOJ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "methyl 2-methylpropanoaat" }, "dbo:casNumber": "547-63-7", "dbo:smiles": "CC(C)C(=O)OC", "skos:broader": { "@id": "csc:CHEMONTID_0003416" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:11039" }, "skos:notation": "C1y2C1yppnat", "dbp:inchikey": "BHIWKHZACMWKOJ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Methyl 2-methylpropanoate" }, "dbo:pubchem": { "@value": "11039", "@type": "xsd:int" }, "dbo:formula": "C5H10O2", "dbo:inchi": "InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3" }, { "@id": "csc:QSHDDOUJBYECFT-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_7439-97-6" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "Hg", "skos:prefLabel": { "@language": "nl", "@value": "kwik" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II (D5) 'kwik en zijn verbindingen' en 'kwik en kwikverbindingen, uitgedrukt als kwik(Hg)' en 'kwik en zijn verbindingen (uitgedrukt in Hg)'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.8.4 'totaal gasvormig kwik'" }, { "@language": "nl", "@value": "VLAR III (D3) 'kwik en zijn verbindingen, uitgedrukt als kwik (Hg)'" }, { "@language": "nl", "@value": "VLAR III (D3 art. 3.12.3.1.6) 'kwik'" }, { "@language": "nl", "@value": "VLAR II (D2) 'kwik'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Hg'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'Kwik en zijn verbindingen, uitgedrukt in Hg'" }, { "@language": "nl", "@value": "VLAR III (D3) 'kwik en kwikverbindingen, uitgedrukt als kwik (Hg)'" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "QSHDDOUJBYECFT-UHFFFAOYSA-N", "dbo:casNumber": [ "92786-62-4", "7439-97-6", "8030-64-6", "92355-34-5", "149038-91-5", "51887-47-9", "123720-03-6" ], "dbo:iupacName": { "@language": "en", "@value": "Mercury" }, "dbo:formula": "Hg", "rdfs:seeAlso": { "@id": "compound:23931" }, "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" } ], "dbo:pubchem": { "@value": "23931", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/Hg", "dbo:smiles": "[Hg]", "skos:definition": { "@language": "nl", "@value": "kwik en kwikverbindingen, uitgedrukt als kwik (Hg)" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "skos:altLabel": { "@language": "nl", "@value": "kwik (Hg)" } }, { "@id": "csc:WABPQHHGFIMREM-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_7439-92-1" }, "skos:altLabel": [ { "@language": "nl", "@value": "lood (Pb)" }, { "@language": "nl", "@value": "lood" } ], "dbo:casNumber": [ "7439-92-1", "724427-66-1", "15158-12-0", "14701-27-0", "54076-28-7" ], "rdfs:seeAlso": { "@id": "compound:5352425" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'lood en zijn verbindingen, uitgedrukt in Pb'" }, { "@language": "nl", "@value": "VLAR II (D2), diverse artikels 'lood'" }, { "@language": "nl", "@value": "VLAR III (D3) 'lood-verbindingen, uitgedrukt als Pb'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Pb'" }, { "@language": "nl", "@value": "VLAR II (D5) 'lood en zijn verbindingen, uitgedrukt in/als Pb' 'lood en loodverbindingen, uitgedrukt als lood (Pb)'" }, { "@language": "nl", "@value": "VLAR III (D3) 'lood en loodverbindingen, uitgedrukt als lood (Pb)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'lood en zijn verbindingen, uitgedrukt in Pb'" }, { "@language": "nl", "@value": "VLAR bijl. 2.5.2. 'lood'" } ], "dbo:pubchem": { "@value": "5352425", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/Pb", "dbo:smiles": "[Pb]", "skos:definition": { "@language": "nl", "@value": "lood en loodverbindingen, uitgedrukt als lood (Pb)" }, "dct:isReferencedBy": [ { "@id": "co:LUC_III_010" }, { "@id": "co:LUC_I_002" } ], "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "dbo:formula": "Pb", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "WABPQHHGFIMREM-UHFFFAOYSA-N", "skos:notation": "Pb", "skos:prefLabel": { "@language": "nl", "@value": "lood" }, "dbo:iupacName": { "@language": "en", "@value": "Lead" } }, { "@id": "csc:PGCGUUGEUBFBPP-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/Al.P/q+3;-3", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000444" }, "dbp:inchikey": "PGCGUUGEUBFBPP-UHFFFAOYSA-N", "dbo:casNumber": "20859-73-8", "rdfs:seeAlso": { "@id": "compound:16126812" }, "dbo:iupacName": { "@language": "en", "@value": "aluminum phosphorus(-3) anion" }, "skos:notation": "AlP", "dbo:formula": "AlP", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "aluminiumfosfide" }, "dbo:pubchem": { "@value": "16126812", "@type": "xsd:int" }, "dbo:smiles": "[Al+3].[P-3]" }, { "@id": "csc:KYGZCKSPAKDVKC-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "oxolinezuur" }, "dbp:inchikey": "KYGZCKSPAKDVKC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "rdfs:seeAlso": { "@id": "compound:4628" }, "skos:notation": "Oolnzr", "dbo:smiles": "CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O", "dbo:inchi": "InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)", "dbo:formula": "C13H11NO5", "dbo:casNumber": "14698-29-4", "dbo:pubchem": { "@value": "4628", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid" } }, { "@id": "csc:XKJMBINCVNINCA-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001935" }, "dbo:formula": "C9H10Cl2N2O2", "dbp:inchikey": "XKJMBINCVNINCA-UHFFFAOYSA-N", "dbo:casNumber": [ "330-55-2", "56645-87-5" ], "dbo:pubchem": { "@value": "9502", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_330-55-2" }, "rdfs:seeAlso": { "@id": "compound:9502" }, "dbo:iupacName": { "@language": "en", "@value": "3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea" }, "dbo:smiles": "CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:inchi": "InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)", "skos:prefLabel": { "@language": "nl", "@value": "linuron" }, "skos:notation": "linrn", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:AMIMRNSIRUDHCM-UHFFFAOYSA-N", "dbo:smiles": "CC(C)C=O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "AMIMRNSIRUDHCM-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-Methylpropanal" }, "skos:broader": { "@id": "csc:CHEMONTID_0002230" }, "skos:notation": "2C1y1C3al", "skos:prefLabel": { "@language": "nl", "@value": "2-methyl-1-propanal" }, "rdfs:seeAlso": { "@id": "compound:6561" }, "dbo:formula": "C4H8O", "dbo:pubchem": { "@value": "6561", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3", "dbo:casNumber": [ "78-84-2", "26140-46-5" ] }, { "@id": "csc:ZQUPQXINXTWCQR-UHFFFAOYSA-N", "dbo:formula": "C12H4Cl6", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,5-tetrachloro-4-(3,4-dichlorophenyl)benzene" }, "dbo:pubchem": { "@value": "63072", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-8(15)4-9(16)11(17)12(10)18/h1-4H", "dbo:smiles": "C1=CC(=C(C=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "PCB158", "dbo:casNumber": "74472-42-7", "skos:prefLabel": { "@language": "nl", "@value": "2,3,3',4,4',6-hexachloorbifenyl" }, "rdfs:seeAlso": { "@id": "compound:63072" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbp:inchikey": "ZQUPQXINXTWCQR-UHFFFAOYSA-N" }, { "@id": "csc:SPTHHTGLGVZZRH-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0004238" }, "dbo:iupacName": { "@language": "en", "@value": "2-trimethylarsoniumylacetate" }, "dbo:smiles": "C[As+](C)(C)CC(=O)[O-]", "dbo:pubchem": { "@value": "47364", "@type": "xsd:int" }, "dbo:casNumber": "64436-13-1", "skos:prefLabel": { "@language": "nl", "@value": "arsenobetaïne" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:47364" }, "dbo:formula": "C5H11AsO2", "dbp:inchikey": "SPTHHTGLGVZZRH-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3" }, { "@id": "csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_7664-41-7" }, "dbo:casNumber": [ "208990-07-2", "8007-57-6", "13774-92-0", "15194-15-7", "7664-41-7", "214478-05-4", "17778-88-0" ], "dbo:smiles": "N", "dbo:inchi": "InChI=1S/H3N/h1H3", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'ammoniak'" }, { "@language": "nl", "@value": "VLAR II (D2/D5) 'ammoniak' en 'ammoniak (NH3)' en 'NH3'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NH3'" } ], "skos:notation": "NH3", "dbo:formula": "H3N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "['$l^{1}-azane', 'azane']" }, "rdfs:seeAlso": { "@id": "compound:222" }, "dbp:inchikey": "QGZKDVFQNNGYKY-UHFFFAOYSA-N", "dct:isReferencedBy": { "@id": "co:LUC_III_003" }, "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "dbo:pubchem": { "@value": "222", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "ammoniak (NH3)" }, "skos:prefLabel": { "@language": "nl", "@value": "ammoniak" } }, { "@id": "csc:JRUGFHHEKLYFPC-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:154380" }, "skos:broader": { "@id": "csc:CHEMONTID_0000048" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C14H14N2", "dbo:inchi": "InChI=1S/C14H14N2/c15-9-3-4-11-7-8-12(10-16)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-8H2", "dbo:casNumber": "57964-40-6", "dbp:inchikey": "JRUGFHHEKLYFPC-UHFFFAOYSA-N", "skos:notation": "4CN1234T4HNa", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": 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"dbo:iupacName": { "@language": "en", "@value": "2,4-Dibromophenol" }, "dbo:pubchem": { "@value": "12005", "@type": "xsd:int" }, "skos:notation": "24DBrFol", "dbo:casNumber": "615-58-7", "rdfs:seeAlso": { "@id": "compound:12005" } }, { "@id": "csc:CYESCLHCWJKRKM-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:prefLabel": { "@language": "nl", "@value": "1-(3,4-dichloorfenyl)ureum" }, "rdfs:seeAlso": { "@id": "compound:16854" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C7H6Cl2N2O", "dbo:smiles": "C1=CC(=C(C=C1NC(=O)N)Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "134DClFyurum", "dbo:pubchem": { "@value": "16854", "@type": "xsd:int" }, "dbp:inchikey": "CYESCLHCWJKRKM-UHFFFAOYSA-N", "dbo:casNumber": "2327-02-8", "dbo:inchi": "InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)", "dbo:iupacName": { "@language": "en", "@value": "(3,4-DICHLOROPHENYL)UREA" } }, { "@id": "csc:BOUGCJDAQLKBQH-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "17822", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": "2837-89-0", "dbo:smiles": "C(C(F)(F)F)(F)Cl", "skos:notation": "HCFK124", "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-1,1,1,2-tetrafluorethaan" }, "dbo:inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C2HClF4", "dbo:iupacName": { "@language": "en", "@value": "2-CHLORO-1,1,1,2-TETRAFLUOROETHANE" }, "rdfs:seeAlso": { "@id": "compound:17822" }, "dbp:inchikey": "BOUGCJDAQLKBQH-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001517" } }, { "@id": "csc:QDRXWCAVUNHOGA-UHFFFAOYSA-N", "skos:notation": "acqncl", "dbo:inchi": "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:93315" }, "dbo:pubchem": { "@value": "93315", "@type": "xsd:int" }, "dbp:inchikey": "QDRXWCAVUNHOGA-UHFFFAOYSA-N", "dbo:casNumber": [ "57960-19-7", "191490-28-5" ], "dbo:iupacName": { "@language": "en", "@value": "(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate" }, "dbo:formula": "C24H32O4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "acequinocyl" }, "dbo:smiles": "CCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C", "skos:broader": { "@id": "csc:CHEMONTID_0000153" } }, { "@id": "csc:IYIKLHRQXLHMJQ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "amiodarone" }, "dbo:inchi": "InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3", "skos:notation": "amodne", "dbo:iupacName": { "@language": "en", "@value": "(2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone" }, "dbo:pubchem": { "@value": "2157", "@type": "xsd:int" }, "dbo:casNumber": "1951-25-3", "dbp:inchikey": "IYIKLHRQXLHMJQ-UHFFFAOYSA-N", "dbo:smiles": "CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I", "rdfs:seeAlso": { "@id": "compound:2157" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C25H29I2NO3", "skos:broader": { "@id": "csc:CHEMONTID_0004297" } }, { "@id": "csc:XOGPDSATLSAZEK-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8341" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-aminoanthracene-9,10-dione" }, "skos:notation": "2Aoatcnn", "dbp:inchikey": "XOGPDSATLSAZEK-UHFFFAOYSA-N", "dbo:formula": "C14H9NO2", "dbo:inchi": "InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2", "dbo:smiles": "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N", "skos:prefLabel": { "@language": "nl", "@value": "2-aminoanthrachinon" }, "dbo:casNumber": "117-79-3", "dbo:pubchem": { "@value": "8341", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003952" } }, { "@id": "csc:QDDHZFKCHWYXJF-PCLMCNLLSA-N", "skos:notation": "doxccnhct", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:5463942" }, "skos:prefLabel": { "@language": "nl", "@value": "doxycycline hyclaat" }, "dbp:inchikey": "QDDHZFKCHWYXJF-PCLMCNLLSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "24390-14-5", "62149-53-5" ], "dbo:iupacName": { "@language": "en", "@value": "(2E,4S,4aR,5S,5aR,6R,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; ethanol; hydrate; dihydrochloride" }, "dbo:smiles": "CCO.CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.O.Cl.Cl", "dbo:inchi": "InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;3H,2H2,1H3;2*1H;1H2/b2*21-13+;;;;/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1", "dbo:pubchem": { "@value": "5463942", "@type": "xsd:int" }, "dbo:formula": "C46H58Cl2N4O18" }, { "@id": "csc:BJLRAKFWOUAROE-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "98478", "@type": "xsd:int" }, "dbo:casNumber": [ "38621-99-7", "2500-83-6" ], "skos:broader": { "@id": "csc:CHEMONTID_0001549" }, "dbo:inchi": "InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(=O)OC1CC2CC1C3C2CC=C3", "skos:notation": "DDPA", "dbo:formula": "C12H16O2", "rdfs:seeAlso": { "@id": "compound:98478" }, "dbp:inchikey": "BJLRAKFWOUAROE-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "verdyl acetaat" }, "dbo:iupacName": { "@language": "en", "@value": "8-tricyclo[5.2.1.02,6]dec-4-enyl acetate" } }, { "@id": "csc:MBIPADCEHSKJDQ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "calrn", "dbo:iupacName": { "@language": "en", "@value": "1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene" }, "dbo:inchi": "InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3", "dbp:inchikey": "MBIPADCEHSKJDQ-UHFFFAOYSA-N", "dbo:smiles": "CC1CCC=C2C1(C3C(C3(C)C)CC2)C", "skos:broader": { "@id": "csc:CHEMONTID_0003565" }, "dbo:pubchem": { "@value": "28481", "@type": "xsd:int" }, "dbo:casNumber": "17334-55-3", "rdfs:seeAlso": { "@id": "compound:28481" }, "skos:prefLabel": { "@language": "nl", "@value": "calareen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C15H24" }, { "@id": "csc:UFBJCMHMOXMLKC-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O", "skos:prefLabel": { "@language": "nl", "@value": "2,4-dinitrofenol" }, "dbo:iupacName": { "@language": "en", "@value": "2,4-Dinitrophenol" }, "skos:broader": { "@id": "csc:CHEMONTID_0004505" }, "dbp:inchikey": "UFBJCMHMOXMLKC-UHFFFAOYSA-N", "skos:notation": "24DNO2Fol", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": "51-28-5", "dbo:pubchem": { "@value": "1493", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:1493" }, "dbo:formula": "C6H4N2O5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H" }, { "@id": "csc:AKEJUJNQAAGONA-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'SO3'" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.3.1 'zwaveltrioxide'" } ], "dbo:smiles": "O=S(=O)=O", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:24682" }, "skos:notation": "SO3", "dbo:formula": "O3S", "dct:isReferencedBy": { "@id": "co:LUC_III_008" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000554" }, "dbp:inchikey": "AKEJUJNQAAGONA-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/O3S/c1-4(2)3", "dbo:pubchem": { "@value": "24682", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "zwaveltrioxide" }, "dbo:casNumber": [ "7446-11-9", "12210-38-7" ], "dbo:iupacName": { "@language": "en", "@value": "SULFUR TRIOXIDE" } }, { "@id": "csc:JJDFVIDVSCYKDS-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:99068" }, "dbo:iupacName": { "@language": "en", "@value": "1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "78948-79-5", "144975-27-9", "7027-11-4" ], "dbo:pubchem": { "@value": "99068", "@type": "xsd:int" }, "dbp:inchikey": "JJDFVIDVSCYKDS-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "isoforon-nitril" }, "skos:broader": { "@id": "csc:CHEMONTID_0003487" }, "dbo:smiles": "CC1(CC(=O)CC(C1)(C)C#N)C", "skos:notation": "ifrntl", "dbo:formula": "C10H15NO" }, { "@id": "csc:HVZJRWJGKQPSFL-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3", "dbo:formula": "C6H14O", "rdfs:seeAlso": { "@id": "compound:61247" }, "dbo:pubchem": { "@value": "61247", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbp:inchikey": "HVZJRWJGKQPSFL-UHFFFAOYSA-N", "dbo:casNumber": "994-05-8", "skos:prefLabel": { "@language": "nl", "@value": "2-methoxy-2-methylbutaan" }, "skos:notation": "2C1ox2C1yC4a", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCC(C)(C)OC", "dbo:iupacName": { "@language": "en", "@value": "2-Methoxy-2-methylbutane" } }, { "@id": "csc:AQIXEPGDORPWBJ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Pentan-3-ol" }, "dbo:smiles": "CCC(CC)O", "skos:notation": "3C5ol", "dbo:pubchem": { "@value": "11428", "@type": "xsd:int" }, "dbp:inchikey": "AQIXEPGDORPWBJ-UHFFFAOYSA-N", "dbo:formula": "C5H12O", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001661" }, "dbo:casNumber": "584-02-1", "rdfs:seeAlso": { "@id": "compound:11428" }, "dbo:inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3", "skos:prefLabel": { "@language": "nl", "@value": "3-pentanol" } }, { "@id": "csc:GFSTXYOTEVLASN-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:3085828" }, "skos:prefLabel": { "@language": "nl", "@value": "gadoteerzuur" }, "dbo:iupacName": { "@language": "en", "@value": "gadolinium(+3) cation; 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid" }, "dbo:smiles": "C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]", "skos:notation": "gadtzr", "skos:broader": { "@id": "csc:CHEMONTID_0002966" }, "dbo:formula": "C16H28GdN4O8+3", "dbo:casNumber": "72573-82-1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3", "dbp:inchikey": "GFSTXYOTEVLASN-UHFFFAOYSA-N", 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"skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol" }, "dbo:formula": "C23H40O5", "skos:notation": "NPEO4" }, { "@id": "csc:SMUQFGGVLNAIOZ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7060" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methylquinoline" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2-Methylquinoline" }, "dbo:inchi": "InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3", "dbo:formula": "C10H9N", "skos:notation": "2C1yqnlne", "dbo:casNumber": [ "91-63-4", "27601-00-9" ], "skos:broader": { "@id": "csc:CHEMONTID_0001253" }, "dbo:smiles": "CC1=NC2=CC=CC=C2C=C1", "dbp:inchikey": "SMUQFGGVLNAIOZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7060", "@type": "xsd:int" } }, { "@id": "csc:XMGQYMWWDOXHJM-JTQLQIEISA-N", "dbo:smiles": "CC1=CCC(CC1)C(=C)C", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:440917" }, "skos:notation": "dlimnn", "skos:broader": { "@id": "csc:CHEMONTID_0001401" }, "dbo:casNumber": "5989-27-5", "skos:prefLabel": { "@language": "nl", "@value": "d-limoneen" }, "dbo:inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "440917", "@type": "xsd:int" }, "dbp:inchikey": "XMGQYMWWDOXHJM-JTQLQIEISA-N", "dbo:iupacName": { "@language": "en", "@value": "(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene" }, "dbo:formula": "C10H16" }, { "@id": "csc:HGMYRFJAJNYBRX-UHFFFAOYSA-N", "dbo:formula": "C12H3Cl7", "dbo:casNumber": "52663-65-7", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "HGMYRFJAJNYBRX-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:63097" }, "dbo:smiles": "C1=CC(=C(C(=C1Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl", "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,3',4,6,6'-heptachloorbifenyl" }, "skos:notation": "PCB176", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,5-tetrachloro-4-(2,3,6-trichlorophenyl)benzene" }, "dbo:inchi": "InChI=1S/C12H3Cl7/c13-4-1-2-5(14)10(17)8(4)9-6(15)3-7(16)11(18)12(9)19/h1-3H", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:pubchem": { "@value": "63097", "@type": "xsd:int" } }, { "@id": "csc:BHYQWBKCXBXPKM-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0003460" }, "dbo:pubchem": { "@value": "3015044", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate" }, "dbo:formula": "C15H24Br9O4P", "dbo:smiles": "C(C(CBr)(CBr)CBr)OP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr", "dbo:inchi": "InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2", "dbo:casNumber": [ "19186-97-1", "134376-16-2", "36483-58-6" ], "skos:notation": "trisTBrnoC5y", "rdfs:seeAlso": { "@id": "compound:3015044" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "BHYQWBKCXBXPKM-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "tris(tribroomneopentyl)fosfaat" } }, { "@id": "csc:XKTMIJODWOEBKO-UHFFFAOYSA-M", "dbo:inchi": "InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1", "skos:notation": "ciagn3", "skos:altLabel": { "@language": "nl", "@value": "C.I. Acid Green 3" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:20803" }, "dbp:inchikey": "XKTMIJODWOEBKO-UHFFFAOYSA-M", "skos:broader": { "@id": "csc:CHEMONTID_0004204" }, "skos:prefLabel": { "@language": "nl", "@value": "c.i. acid green 3" }, "dbo:pubchem": { "@value": "20803", "@type": "xsd:int" }, "dbo:formula": "C37H35N2NaO6S2", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "260057-95-2", "4680-78-8" ], "dbo:smiles": "CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+]", "dbo:iupacName": { "@language": "en", "@value": "sodium 3-[[ethyl-[4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-1-cyclohexa-2,5-dienylidene]-phenylmethyl]phenyl]amino]methyl]benzenesulfonate" } }, { "@id": "csc:RFLHUYUQCKHUKS-JUODUXDSSA-M", "skos:broader": { "@id": "csc:CHEMONTID_0001189" }, "dbo:casNumber": [ "80370-57-6", "104010-37-9" ], "skos:notation": "ceftofr", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1", "skos:prefLabel": { "@language": "nl", "@value": "ceftiofur" }, "dbp:inchikey": "RFLHUYUQCKHUKS-JUODUXDSSA-M", "dbo:pubchem": { "@value": "9571073", "@type": "xsd:int" }, "dbo:formula": "C19H16N5NaO7S3", "rdfs:seeAlso": { "@id": "compound:9571073" }, "dbo:iupacName": { "@language": "en", "@value": "sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" } }, { "@id": "csc:OYEHPCDNVJXUIW-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "PLUTONIUM" }, "dbo:casNumber": [ "7440-07-5", "22541-44-2", "22541-69-1" ], "dbo:inchi": "InChI=1S/Pu", "dbo:formula": "Pu", "dbo:pubchem": { "@value": "23940", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "[Pu]", "skos:prefLabel": { "@language": "nl", "@value": "plutonium" }, "skos:notation": "Pu", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "rdfs:seeAlso": { "@id": "compound:23940" }, "dbp:inchikey": "OYEHPCDNVJXUIW-UHFFFAOYSA-N" }, { "@id": "csc:BDERNNFJNOPAEC-UHFFFAOYSA-N", "skos:notation": "C3ol", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "n-propanol" }, "dbo:casNumber": [ "62309-51-7", "71-23-8" ], "skos:altLabel": { "@language": "nl", "@value": "propanol" }, "dct:isReferencedBy": [ { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_012" }, { "@id": "co:LUC_IV_009" } ], "skos:broader": { "@id": "csc:CHEMONTID_0000286" }, "rdfs:seeAlso": { "@id": "compound:1031" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'alkylalcohol'" }, "dbo:smiles": "CCCO", "dbo:formula": "C3H8O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "BDERNNFJNOPAEC-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "1031", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Propan-1-ol" }, "dbo:inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" }, { "@id": "csc:LEONUFNNVUYDNQ-OIOBTWANSA-N", "dbo:smiles": "[V]", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:inchi": "InChI=1S/V/i1-3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "V", "rdfs:seeAlso": { "@id": "compound:161054" }, "skos:prefLabel": { "@language": "nl", "@value": "vanadium 48" }, "skos:notation": "V48", "dbo:casNumber": "14331-97-6", "dbo:iupacName": { "@language": "en", "@value": "vanadium-48" }, "dbp:inchikey": "LEONUFNNVUYDNQ-OIOBTWANSA-N", "dbo:pubchem": { "@value": "161054", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" } }, { "@id": "csc:NLZUEZXRPGMBCV-UHFFFAOYSA-N", "dbo:casNumber": [ "42615-30-5", "102962-45-8", "950-56-1", "50641-99-1", "83047-16-9", "128-37-0", "58500-82-6", "52683-46-2", "97123-41-6", "50356-19-9", "53571-70-3" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "butylhydroxytolueen" }, "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "dbo:smiles": "CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C", "skos:exactMatch": { "@id": "wise:CAS_128-37-0" }, "dbo:inchi": "InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3", "rdfs:seeAlso": { "@id": "compound:31404" }, "skos:altLabel": { "@language": "nl", "@value": "butylhydroxytolueen (BHT)" }, "dbo:pubchem": { "@value": "31404", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C15H24O", "skos:notation": "BHT", "dbp:inchikey": "NLZUEZXRPGMBCV-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,6-ditert-butyl-4-methylphenol" } }, { "@id": "csc:WPALTCMYPARVNV-UHFFFAOYSA-N", "skos:notation": "tolfprd", "rdfs:seeAlso": { "@id": "compound:10110536" }, "dbo:iupacName": { "@language": "en", "@value": "4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "tolfenpyrad" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C21H22ClN3O2", "dbo:inchi": "InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)", "dbp:inchikey": "WPALTCMYPARVNV-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10110536", "@type": "xsd:int" }, "dbo:smiles": "CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C", "dbo:casNumber": "129558-76-5", "skos:broader": { "@id": "csc:CHEMONTID_0004155" } }, { "@id": "csc:RMMXLENWKUUMAY-UHFFFAOYSA-N", "dbo:formula": "C33H30N4O2", "dbo:pubchem": { "@value": "65999", "@type": "xsd:int" }, "skos:notation": "telmstn", "dbo:casNumber": "144701-48-4", "skos:broader": { "@id": "csc:CHEMONTID_0000041" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "RMMXLENWKUUMAY-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "telmisartan" }, "dbo:iupacName": { "@language": "en", "@value": "2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid" }, "dbo:inchi": "InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)", "dbo:smiles": "CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C", "rdfs:seeAlso": { "@id": "compound:65999" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:JHFAEUICJHBVHB-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-5,9-10H", "skos:notation": "23DHindl2on", "dbo:casNumber": [ "59-48-3", "16990-73-1" ], "skos:broader": { "@id": "csc:CHEMONTID_0004162" }, "dbo:smiles": "C1=CC=C2C(=C1)C=C(N2)O", "dbp:inchikey": "JHFAEUICJHBVHB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "65531", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:65531" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3-dihydroindol-2-on" }, "dbo:iupacName": { "@language": "en", "@value": "1H-Indol-2-ol" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C8H7NO" }, { "@id": "csc:XAIPTRIXGHTTNT-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide" }, "dbo:pubchem": { "@value": "47445", "@type": "xsd:int" }, "dbo:formula": "C15H10ClF3N2O3", "skos:notation": "Tfmrn", "rdfs:seeAlso": { "@id": "compound:47445" }, "dbp:inchikey": "XAIPTRIXGHTTNT-UHFFFAOYSA-N", "dbo:casNumber": "64628-44-0", "skos:broader": { "@id": "csc:CHEMONTID_0004513" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl", "skos:prefLabel": { "@language": "nl", "@value": "triflumuron" }, "dbo:inchi": "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" }, { "@id": "csc:SZVGIJOITCPDPM-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "11‐chloroeicosafluoro‐3‐oxaundecane‐1‐sulfonzuur" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F", "dbo:inchi": "InChI=1S/C10HClF20O4S/c11-7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)35-9(28,29)10(30,31)36(32,33)34/h(H,32,33,34)", "dbo:formula": "C10HClF20O4S", "skos:broader": { "@id": "csc:CHEMONTID_0001179" }, "dbp:inchikey": "SZVGIJOITCPDPM-UHFFFAOYSA-N", "dbo:casNumber": "763051-92-9", "dbo:pubchem": { "@value": "15099039", "@type": "xsd:int" }, "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" }, "skos:notation": "11Cl‐PF3OUnDS", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:15099039" } }, { "@id": "csc:BYBLEWFAAKGYCD-UHFFFAOYSA-N", "dbp:inchikey": "BYBLEWFAAKGYCD-UHFFFAOYSA-N", "dbo:casNumber": [ "75319-47-0", "22916-47-8" ], "skos:notation": "micanzl", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2", "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole" }, "dbo:formula": "C18H14Cl4N2O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:4189" }, "dbo:pubchem": { "@value": "4189", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "miconazol" }, "skos:exactMatch": { "@id": "wise:CAS_22916-47-8" }, "skos:broader": { "@id": "csc:CHEMONTID_0002542" } }, { "@id": "csc:MIJLZGZLQLAQCM-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "halOxfC2oxC2", "dbo:inchi": "InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3", "dbp:inchikey": "MIJLZGZLQLAQCM-UHFFFAOYSA-N", "dbo:smiles": "CCOCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl", "rdfs:seeAlso": { "@id": "compound:91743" }, "dbo:formula": "C19H19ClF3NO5", "dbo:pubchem": { "@value": "91743", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-ethoxyethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" }, "skos:prefLabel": { "@language": "nl", "@value": "haloxyfop-ethoxyethyl" }, "skos:broader": { "@id": "csc:CHEMONTID_0004677" }, "dbo:casNumber": [ "126518-70-5", "87237-48-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:ACTOXUHEUCPTEW-JMRHEKERSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "spiramycine (I+II+III)" }, "skos:broader": { "@id": "csc:CHEMONTID_0000282" }, "dbo:inchi": "InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1", "skos:notation": "spirmcne", "dbo:pubchem": { "@value": "6419898", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "['2-[(4R,5S,6S,7R,9R,10R,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde', '2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde']" }, "rdfs:seeAlso": { "@id": "compound:6419898" }, "dbo:formula": "C43H74N2O14", "dbp:inchikey": "ACTOXUHEUCPTEW-JMRHEKERSA-N", "dbo:smiles": "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C", "dbo:casNumber": "8025-81-8", "skos:altLabel": { "@language": "nl", "@value": "spiramycine (i+ii+iii)" } }, { "@id": "csc:CZZYITDELCSZES-UHFFFAOYSA-N", "skos:notation": "DFyC1a", "dbo:inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2", "dbo:formula": "C13H12", "rdfs:seeAlso": { "@id": "compound:7580" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "dbo:smiles": "C1=CC=C(C=C1)CC2=CC=CC=C2", "dbo:pubchem": { "@value": "7580", "@type": "xsd:int" }, "dbo:casNumber": "101-81-5", "skos:prefLabel": { "@language": "nl", "@value": "difenylmethaan" }, "dbp:inchikey": "CZZYITDELCSZES-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "phenylmethylbenzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:ABBKOIZWGCVCKE-UHFFFAOYSA-N", "skos:notation": "14iC3yFyurum", "rdfs:seeAlso": { "@id": "compound:185831" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "(4-propan-2-ylphenyl)urea" }, "dbo:formula": "C10H14N2O", "dbp:inchikey": "ABBKOIZWGCVCKE-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "1-(4-isopropylfenyl)ureum" }, "skos:broader": { "@id": "csc:CHEMONTID_0001935" }, "dbo:casNumber": "56046-17-4", "dbo:smiles": "CC(C)C1=CC=C(C=C1)NC(=O)N", "dbo:pubchem": { "@value": "185831", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" }, { "@id": "csc:RJCQBQGAPKAMLL-UHFFFAOYSA-N", "dbo:formula": "CBrF3", "dbo:casNumber": [ "75-63-8", "62395-25-9" ], "skos:notation": "halon1301", "dbo:pubchem": { "@value": "6384", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:6384" }, "dbo:smiles": "C(F)(F)(F)Br", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "bromo-trifluoromethane" }, "skos:broader": { "@id": "csc:CHEMONTID_0004157" }, "dbo:inchi": "InChI=1S/CBrF3/c2-1(3,4)5", "dbp:inchikey": "RJCQBQGAPKAMLL-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "broomtrifluormethaan" } }, { "@id": "csc:ZJMZZNVGNSWOOM-UHFFFAOYSA-N", "skos:notation": "secbmtn", "dbp:inchikey": "ZJMZZNVGNSWOOM-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)", "dbo:casNumber": [ "26259-45-0", "38473-42-6", "11096-33-6" ], "dbo:iupacName": { "@language": "en", "@value": "N-butan-2-yl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" }, "skos:prefLabel": { "@language": "nl", "@value": "secbumeton" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CCC(C)NC1=NC(=NC(=N1)NCC)OC", "skos:broader": { "@id": "csc:CHEMONTID_0004731" }, "rdfs:seeAlso": { "@id": "compound:33443" }, "dbo:formula": "C10H19N5O", "dbo:pubchem": { "@value": "33443", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:FWFUWXVFYKCSQA-UHFFFAOYSA-M", "dbo:casNumber": [ "115137-50-3", "15214-89-8", "86848-82-0", "113996-54-6", "171063-24-4", "5165-97-9", "112666-19-0", "95243-13-3", "152634-06-5", "76701-57-0", "192388-82-2", "129701-88-8" ], "dbp:inchikey": "FWFUWXVFYKCSQA-UHFFFAOYSA-M", "skos:broader": { "@id": "csc:CHEMONTID_0001179" }, "dbo:smiles": "CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[Na+]", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "3034154", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C7H12NNaO4S", "dbo:inchi": "InChI=1S/C7H13NO4S.Na/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1", "dbo:iupacName": { "@language": "en", "@value": "sodium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate" }, "skos:prefLabel": { "@language": "nl", "@value": "2-acrylamido-2-methylpropaansulfonzuur" }, "skos:notation": "2acamd2C1yC3", "rdfs:seeAlso": { "@id": "compound:3034154" } }, { "@id": "csc:YTOPFCCWCSOHFV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2,6-Dimethyl-4-tridecylmorpholine" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:32518" }, "dbp:inchikey": "YTOPFCCWCSOHFV-UHFFFAOYSA-N", "dbo:casNumber": [ "24602-86-6", "81412-43-3" ], "dbo:formula": "C19H39NO", "dbo:smiles": "CCCCCCCCCCCCCN1CC(OC(C1)C)C", "dbo:inchi": "InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3", "skos:prefLabel": { "@language": "nl", "@value": "tridemorf" }, "skos:notation": "Tdmf", "skos:broader": { "@id": "csc:CHEMONTID_0000392" }, "dbo:pubchem": { "@value": "32518", "@type": "xsd:int" } }, { "@id": "csc:RHDHXBLZBVAPTL-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:17631" }, "dbo:inchi": "InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3", "dbo:smiles": "CCCCCCCCC(CCC)C1=CC=CC=C1", "dbo:iupacName": { "@language": "en", "@value": "dodecan-4-ylbenzene" }, "skos:notation": "1C3yC9yBen", "dbp:inchikey": "RHDHXBLZBVAPTL-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "2719-64-4", "skos:prefLabel": { "@language": "nl", "@value": "(1-propylnonyl)-benzeen" }, "dbo:formula": "C18H30", "dbo:pubchem": { "@value": "17631", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002279" } }, { "@id": "csc:JXTHNDFMNIQAHM-UHFFFAOYSA-N", "dbo:smiles": "C(C(=O)O)(Cl)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "dichloorazijnzuur" }, "dbo:casNumber": [ "42428-47-7", "79-43-6" ], "dbo:pubchem": { "@value": "6597", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2,2-Dichloroacetic acid" }, "dbo:formula": "C2H2Cl2O2", "skos:notation": "DClHAc", "rdfs:seeAlso": { "@id": "compound:6597" }, "dbp:inchikey": "JXTHNDFMNIQAHM-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" }, { "@id": "csc:SJKDXZGLKADOQD-UHFFFAOYSA-N", "dbo:casNumber": "39492-89-2", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "dbo:iupacName": { "@language": "en", "@value": "2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-2,2-difluoroacetic acid" }, "dbp:inchikey": "SJKDXZGLKADOQD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluor-3,5,7-trioxaoctaanzuur" }, "dbo:pubchem": { "@value": "87185480", "@type": "xsd:int" }, "skos:notation": "PFO3OA", "dbo:inchi": "InChI=1S/C5HF9O5/c6-2(7,1(15)16)17-4(11,12)19-5(13,14)18-3(8,9)10/h(H,15,16)", "dbo:formula": "C5HF9O5", "rdfs:seeAlso": { "@id": "compound:87185480" }, "dbo:smiles": "C(=O)(C(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)O" }, { "@id": "csc:FOHHWGVAOVDVLP-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-Chloro-3-nitroaniline" }, "dbp:inchikey": "FOHHWGVAOVDVLP-UHFFFAOYSA-N", "dbo:casNumber": "635-22-3", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:12477" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "dbo:smiles": "C1=CC(=C(C=C1N)[N+](=O)[O-])Cl", "skos:prefLabel": { "@language": "nl", "@value": "4-chloor-3-nitroaniline" }, "dbo:formula": "C6H5ClN2O2", "dbo:inchi": "InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2", "dbo:pubchem": { "@value": "12477", "@type": "xsd:int" }, "skos:notation": "4Cl3NO2An", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:AKPLHCDWDRPJGD-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "AKPLHCDWDRPJGD-UHFFFAOYSA-N", "dbo:casNumber": "1088-11-5", "skos:notation": "desC1yDazpm", "dbo:pubchem": { "@value": "2997", "@type": 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(kation)" }, "dbo:iupacName": { "@language": "en", "@value": "butane; tin(+2) cation" }, "dbo:formula": "C8H18Sn", "dbo:smiles": "CCC[CH2-].CCC[CH2-].[Sn+2]", "skos:broader": { "@id": "csc:CHEMONTID_0003865" } }, { "@id": "csc:PXHVJJICTQNCMI-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "nikkel" }, "dbo:iupacName": { "@language": "en", "@value": "Nickel" }, "skos:exactMatch": { "@id": "wise:CAS_7440-02-0" }, "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" } ], "dbo:casNumber": [ "195161-84-3", "39303-46-3", "68412-20-4", "53527-81-4", "17375-04-1", "21595-53-9", "7440-02-0", "14903-34-5", "112084-17-0", "8049-31-8" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR bijl. 2.5.8.1 'Nikkel'" }, { "@language": "nl", "@value": "VLAR II (D2/D5) 'nikkel'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Nikkel en de verbindingen daarvan, uitgedrukt als nikkel (Ni)'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Nikkel'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'nikkel en zijn verbindingen, uitgedrukt in Ni'" }, { "@language": "nl", "@value": "VLAR II (D5) 'nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Ni'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 nikkel (nikkelmetaal, nikkelsulfide en sulfidische ertsen, nikkeloxide en nikkelcarbonaat, nikkeltetracarbonyl), uitgedrukt in Ni'" } ], "dbo:formula": "Ni", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "skos:notation": "Ni", "skos:definition": { "@language": "nl", "@value": "nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)" }, "dbo:pubchem": { "@value": "935", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "Nikkel (Ni)" }, "dbp:inchikey": "PXHVJJICTQNCMI-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/Ni", 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"C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "perfluorhexadecaanzuur" }, "dbo:pubchem": { "@value": "106027", "@type": "xsd:int" }, "skos:notation": [ "PFHxDA", "PFC16azr" ], "rdfs:seeAlso": { "@id": "compound:106027" }, "dbo:casNumber": "67905-19-5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluorohexadecanoic acid" }, "dbo:formula": "C16HF31O2", "dbp:inchikey": "OJMBMWRMTMHMSZ-UHFFFAOYSA-N" }, { "@id": "csc:YREYEVIYCVEVJK-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole" }, "dbo:formula": "C18H21N3O3S", "@type": [ "skos:Concept", 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"@value": "cis-permethrin" } ], "dbo:inchi": "InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1", "skos:broader": { "@id": "csc:CHEMONTID_0001461" }, "dbo:pubchem": { "@value": "40463", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:40463" }, "skos:exactMatch": { "@id": "wise:CAS_52645-53-1" }, "dbo:iupacName": { "@language": "en", "@value": "[3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" }, "dbo:formula": "C21H20Cl2O3", "dbp:inchikey": "RLLPVAHGXHCWKJ-HKUYNNGSSA-N", "skos:prefLabel": { "@language": "nl", "@value": "cis-permetryn" } }, { "@id": "csc:FQDIANVAWVHZIR-OWOJBTEDSA-N", "dbo:inchi": "InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+", "rdfs:seeAlso": { "@id": "compound:642197" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:altLabel": { 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"csc:CHEMONTID_0000050" }, "dbo:formula": "C6H10O2", "skos:notation": "2Oxepnn", "dbo:iupacName": { "@language": "en", "@value": "oxepan-2-one" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "PAPBSGBWRJIAAV-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10401", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2", "rdfs:seeAlso": { "@id": "compound:10401" }, "skos:prefLabel": { "@language": "nl", "@value": "2-oxepanon" } }, { "@id": "csc:CNKHSLKYRMDDNQ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003100" }, "rdfs:seeAlso": { "@id": "compound:114994" }, "dbo:smiles": "CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "N'-(benzoyl)-N'-tert-butyl-4-chlorobenzohydrazide" }, "dbo:formula": "C18H19ClN2O2", "skos:notation": "halfnzde", "skos:prefLabel": { "@language": "nl", "@value": "halofenozide" }, 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"IOEJYZSZYUROLN-UHFFFAOYSA-M", "skos:notation": "DEDC", "dbo:inchi": "InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1", "dbo:smiles": "CCN(CC)C(=S)[S-].[Na+]" }, { "@id": "csc:VZCYOOQTPOCHFL-OWOJBTEDSA-N", "dbo:formula": "C4H4O4", "dbo:casNumber": [ "6915-18-0", "110-17-8", "623158-97-4", "110-16-7" ], "dbo:smiles": "C(=CC(=O)O)C(=O)O", "dbp:inchikey": "VZCYOOQTPOCHFL-OWOJBTEDSA-N", "skos:prefLabel": { "@language": "nl", "@value": "maleïnezuur" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "malinzr", "skos:broader": { "@id": "csc:CHEMONTID_0000346" }, "dbo:pubchem": { "@value": "444972", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:444972" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "But-2-enedioic acid" }, "dbo:inchi": "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+" }, { "@id": "csc:WQYWHGOKYSMVFW-ZOKDRQBOSA-N", "dbo:casNumber": 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"dibutyl-3-hydroxybutylfosfaat" }, "rdfs:seeAlso": { "@id": "compound:187696" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "187696", "@type": "xsd:int" }, "dbo:casNumber": "89197-69-3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "dibutyl 3-hydroxybutyl phosphate" }, "skos:notation": "DC4y3OHC4yPO", "dbo:smiles": "CCCCOP(=O)(OCCCC)OCCC(C)O", "dbo:inchi": "InChI=1S/C12H27O5P/c1-4-6-9-15-18(14,16-10-7-5-2)17-11-8-12(3)13/h12-13H,4-11H2,1-3H3", "dbo:formula": "C12H27O5P", "skos:broader": { "@id": "csc:CHEMONTID_0003460" } }, { "@id": "csc:BTGRAWJCKBQKAO-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "adiponitril" }, "dbp:inchikey": "BTGRAWJCKBQKAO-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "8128", "@type": "xsd:int" }, "dbo:casNumber": [ "111-69-3", "68411-90-5", "68511-79-5" ], 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"1-aminonaftaleen" }, "dbo:formula": "C10H9N", "dbo:iupacName": { "@language": "en", "@value": "naphthalen-1-amine" }, "skos:notation": "1AoNaf", "skos:broader": { "@id": "csc:CHEMONTID_0000023" } }, { "@id": "csc:NTAHCMPOMKHKEU-AATRIKPKSA-N", "dbp:inchikey": "NTAHCMPOMKHKEU-AATRIKPKSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:altLabel": { "@language": "nl", "@value": "trans-methacrifos" }, "skos:notation": [ "tmethcfs", "methcfs" ], "dbo:formula": "C7H13O5PS", "dbo:inchi": "InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+", "skos:broader": { "@id": "csc:CHEMONTID_0003384" }, "skos:prefLabel": { "@language": "nl", "@value": "methacrifos" }, "dbo:smiles": "CC(=COP(=S)(OC)OC)C(=O)OC", "dbo:casNumber": [ "62610-77-9", "30864-28-9" ], "dbo:iupacName": { "@language": "en", "@value": "['methyl 3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate', 'methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate']" }, 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"dbo:iupacName": { "@language": "en", "@value": "Chloroethane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCl", "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbo:pubchem": { "@value": "6337", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:6337" } }, { "@id": "csc:PWVKJRSRVJTHTR-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:23971" }, "dbo:casNumber": "7440-40-6", "dbp:inchikey": "PWVKJRSRVJTHTR-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "23971", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/Bk", "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "dbo:iupacName": { "@language": "en", "@value": "BERKELIUM" }, "dbo:formula": "Bk", "dbo:smiles": "[Bk]", "skos:notation": "Bk", "skos:prefLabel": { "@language": "nl", "@value": "berkelium" } }, { "@id": "csc:DMEDNTFWIHCBRK-UHFFFAOYSA-N", "skos:notation": "26DClTol", "dbo:formula": "C7H6Cl2", "dbo:casNumber": "118-69-4", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "2,6-dichloortolueen" }, "dbo:iupacName": { "@language": "en", "@value": "1,3-dichloro-2-methylbenzene" }, "dbo:pubchem": { "@value": "8368", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3", "dbp:inchikey": "DMEDNTFWIHCBRK-UHFFFAOYSA-N", "dbo:smiles": "CC1=C(C=CC=C1Cl)Cl", "rdfs:seeAlso": { "@id": "compound:8368" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:ULBXWWGWDPVHAO-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)", "skos:notation": "Clbfm", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C11H10ClNO2", "dbo:casNumber": "1967-16-4", "dbo:smiles": "CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl", 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"skos:altLabel": { "@language": "nl", "@value": "2-hydroxy-atrazine" }, "dbo:iupacName": { "@language": "en", "@value": "4-ethylamino-6-(propan-2-ylamino)-5H-1,3,5-triazin-2-one" }, "dbo:casNumber": "2163-68-0", "skos:exactMatch": { "@id": "wise:CAS_2163-68-0" }, "skos:notation": "2HOxatzne", "skos:broader": { "@id": "csc:CHEMONTID_0004105" } }, { "@id": "csc:LQZZUXJYWNFBMV-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "68551-07-5", "8032-09-5", "112-53-8", "68855-55-0", "8032-10-8", "8032-08-4", "8014-32-2", "1322-35-6" ], "dbo:inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3", "dbo:smiles": "CCCCCCCCCCCCO", "dbp:inchikey": "LQZZUXJYWNFBMV-UHFFFAOYSA-N", "skos:notation": "1C12ol", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "1-dodecanol" }, "dbo:formula": "C12H26O", "dbo:pubchem": { "@value": "8193", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001334" }, "rdfs:seeAlso": { "@id": "compound:8193" }, "dbo:iupacName": { "@language": "en", "@value": "dodecan-1-ol" } }, { "@id": "csc:LCCNCVORNKJIRZ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3", "rdfs:seeAlso": { "@id": "compound:991" }, "dbo:iupacName": { "@language": "en", "@value": "diethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane" }, "skos:broader": { "@id": "csc:CHEMONTID_0004748" }, "dbo:casNumber": [ "110616-89-2", "11111-91-4", "56-38-2", "8057-70-3" ], "skos:notation": "C2yprton", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "ethylparathion" }, "dbo:formula": "C10H14NO5PS", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "parathion-ethyl" }, "dbp:inchikey": "LCCNCVORNKJIRZ-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_56-38-2" }, 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"@language": "nl", "@value": "d-trans-allethrin" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "allethrin" }, "skos:notation": [ "alltn", "dtalltn" ], "dbo:iupacName": { "@language": "en", "@value": "(2-methyl-4-oxo-3-prop-2-enyl-1-cyclopent-2-enyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate" }, "dbo:pubchem": { "@value": "11442", "@type": "xsd:int" } }, { "@id": "csc:NIXOWILDQLNWCW-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "acrylzuur" }, { "@language": "nl", "@value": "2-propeenzuur" } ], "dbo:casNumber": [ "104922-39-6", "81031-52-9", "55927-87-2", "101360-15-0", "174594-09-3", "29862-29-1", "54990-82-8", "59233-19-1", "105913-47-1", "11132-69-7", "37241-23-9", "51142-25-7", "82446-45-5", "56747-65-0", "54578-44-8", "39341-22-5", "9003-03-6", "71767-27-6", "65742-16-7", "125857-68-3", "54182-57-9", "25987-55-7", "88650-89-9", "71767-28-7", "79-10-7", "87913-02-8", "9007-20-9", "165724-08-3" ], "dbp:inchikey": "NIXOWILDQLNWCW-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "2C3ezr", "dbo:pubchem": { "@value": "6581", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004451" }, "dbo:smiles": "C=CC(=O)O", "dbo:inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "prop-2-enoic acid" }, "rdfs:seeAlso": { "@id": "compound:6581" }, "skos:prefLabel": { "@language": "nl", "@value": "acrylzuur " }, "dbo:formula": "C3H4O2", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" } }, { "@id": "csc:YNPNZTXNASCQKK-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "dct:isReferencedBy": { "@id": "co:LUC_VI_001" }, "dbo:formula": "C14H10", "dbo:casNumber": "85-01-8", "dbp:inchikey": "YNPNZTXNASCQKK-UHFFFAOYSA-N", "skos:notation": "Fen", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=CC=CC=C32", "rdfs:seeAlso": { "@id": "compound:995" }, "dbo:iupacName": { "@language": "en", "@value": "Phenanthrene" }, "dbo:pubchem": { "@value": "995", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "fenantreen" }, "skos:exactMatch": { "@id": "wise:CAS_85-01-8" } }, { "@id": "csc:HFZWRUODUSTPEG-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "8449", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2,4-Dichlorophenol" }, "dbo:formula": "C6H4Cl2O", "dbp:inchikey": "HFZWRUODUSTPEG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "120-83-2", "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)O", "rdfs:seeAlso": { "@id": "compound:8449" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4-dichloorfenol" }, "dbo:inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:exactMatch": { "@id": "wise:CAS_120-83-2" }, "skos:notation": "24DClFol" }, { "@id": "csc:RQNWIZPPADIBDY-UHFFFAOYSA-N", "dbo:casNumber": [ "7784-42-1", "39277-51-5", "7440-38-2", "55624-62-9" ], "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II (D5) 'arseen en arseenverbindingen, uitgedrukt als arseen (As)'" }, { "@language": "nl", "@value": "VLAR (D2) 'arseen'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'As'" }, { "@language": "nl", "@value": "VLAR III (D3) 'AsH3'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'arseen en zijn verbindingen, uitgedrukt in As'" }, { "@language": "nl", "@value": "VLAR bijl. II 2.5.8 'arseen'" }, { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, { "@language": "nl", "@value": "VLAR III (D3) 'Arseen en de verbindingen daarvan, uitgedrukt als arseen (As)'" } ], "skos:definition": { "@language": "nl", "@value": "arseen en arseenverbindingen, uitgedrukt als arseen (As)" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "arseen" }, "dbo:pubchem": { "@value": "5359596", "@type": "xsd:int" }, "dbo:formula": "As", "skos:exactMatch": { "@id": "wise:CAS_7440-38-2" }, "skos:notation": "As", "skos:broader": { "@id": "csc:CHEMONTID_0000431" }, "rdfs:seeAlso": { "@id": "compound:5359596" }, "skos:altLabel": { "@language": "nl", "@value": "arseen (As)" }, "dbo:iupacName": { "@language": "en", "@value": "Arsenic" }, "dbp:inchikey": "RQNWIZPPADIBDY-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/As", "dbo:smiles": "[As]" }, { "@id": "csc:CHHCCYVOJBBCIY-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "23285", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C8H10ClN", "dbo:casNumber": "6848-13-1", "dbp:inchikey": "CHHCCYVOJBBCIY-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:23285" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "3-chloor-N,N-dimethylaniline" }, "dbo:iupacName": { "@language": "en", "@value": "3-Chloro-N,N-dimethylaniline" }, "dbo:smiles": "CN(C)C1=CC(=CC=C1)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0003901" }, "skos:prefLabel": { "@language": "nl", "@value": "3-chloor-n,n-dimethylaniline" }, "dbo:inchi": "InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3", "skos:notation": "3ClNNDC1yAn" }, { "@id": "csc:SBZXBUIDTXKZTM-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "111-96-6", "142939-39-7", "70992-86-8", "54631-70-8" ], "dbo:smiles": "COCCOCCOC", "rdfs:seeAlso": { "@id": "compound:8150" }, "skos:notation": "bis2C1oxC2yE", "skos:prefLabel": { "@language": "nl", "@value": "bis(2-methoxyethyl)ether" }, "dbp:inchikey": "SBZXBUIDTXKZTM-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbo:pubchem": { "@value": "8150", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1-METHOXY-2-(2-METHOXYETHOXY)ETHANE" }, "dbo:formula": "C6H14O3" }, { "@id": "csc:DGBIGWXXNGSACT-UHFFFAOYSA-N", "skos:notation": "clonzpm", "rdfs:seeAlso": { "@id": "compound:2802" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl", "dbo:iupacName": { "@language": "en", "@value": "5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one" }, "skos:prefLabel": { "@language": "nl", "@value": "clonazepam" }, "skos:broader": { "@id": "csc:CHEMONTID_0004097" }, "dbo:formula": "C15H10ClN3O3", "dbo:pubchem": { "@value": "2802", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)", "dbo:casNumber": [ "106955-87-7", "1622-61-3" ], "dbp:inchikey": "DGBIGWXXNGSACT-UHFFFAOYSA-N" }, { "@id": "csc:RLMZELPHRPTNJX-UHFFFAOYSA-N", "dbp:inchikey": "RLMZELPHRPTNJX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "24DC8yFol", "dbo:inchi": "InChI=1S/C22H38O/c1-3-5-7-9-11-13-15-20-17-18-22(23)21(19-20)16-14-12-10-8-6-4-2/h17-19,23H,3-16H2,1-2H3", "skos:prefLabel": { "@language": "nl", "@value": "2,4-dioctylfenol" }, "rdfs:seeAlso": { "@id": "compound:74548" }, "dbo:pubchem": { "@value": "74548", "@type": "xsd:int" }, "dbo:smiles": "CCCCCCCCC1=CC(=C(C=C1)O)CCCCCCCC", "dbo:casNumber": "1807-29-0", "skos:broader": { "@id": "csc:CHEMONTID_0004646" }, "dbo:formula": "C22H38O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2,4-Dioctylphenol" } }, { "@id": "csc:HXGDTGSAIMULJN-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H", "dbo:iupacName": { "@language": "en", "@value": "Acenaphthylene" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "208-96-8", "34493-60-2" ], "dct:isReferencedBy": [ { "@id": "co:LUC_VI_001" }, { "@id": "co:WAC_IV_A_002" } ], "dbo:formula": "C12H8", "dbp:inchikey": "HXGDTGSAIMULJN-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:9161" }, "skos:prefLabel": { "@language": "nl", "@value": "acenaftyleen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "AcNy", "skos:exactMatch": { "@id": "wise:CAS_208-96-8" }, "dbo:pubchem": { "@value": "9161", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004812" }, 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"VGKDLMBJGBXTGI-SJCJKPOMSA-N", "dbo:formula": "C17H17Cl2N", "dbo:pubchem": { "@value": "68617", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:68617" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "79617-96-2", "skos:broader": { "@id": "csc:CHEMONTID_0000049" }, "skos:notation": "sertlne", "dbo:inchi": "InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1", "skos:prefLabel": { "@language": "nl", "@value": "sertraline" }, "dbo:iupacName": { "@language": "en", "@value": "(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine" }, "dbo:smiles": "CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl" }, { "@id": "csc:BSYNRYMUTXBXSQ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:2244" }, "dbo:inchi": "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)", "dbo:casNumber": [ "2349-94-2", "98201-60-6", "11126-37-7", "26914-13-6", "50-78-2", "11126-35-5" ], "skos:notation": "asprne", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "aspirine" }, "dbo:formula": "C9H8O4", "skos:broader": { "@id": "csc:CHEMONTID_0004577" }, "dbo:pubchem": { "@value": "2244", "@type": "xsd:int" }, "dbp:inchikey": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-acetyloxybenzoic acid" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(=O)OC1=CC=CC=C1C(=O)O" }, { "@id": "csc:HLBLWEWZXPIGSM-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "4,4'-diaminodifenylether" }, "dbp:inchikey": "HLBLWEWZXPIGSM-UHFFFAOYSA-N", "dbo:casNumber": [ "101-80-4", "121509-79-3" ], "dbo:iupacName": { "@language": "en", "@value": "4-(4-aminophenoxy)aniline" }, "dbo:smiles": "C1=CC(=CC=C1N)OC2=CC=C(C=C2)N", "skos:notation": "44DAoDFyEtr", "dbo:inchi": "InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2", "skos:broader": { "@id": "csc:CHEMONTID_0004155" }, "dbo:pubchem": { "@value": "7579", "@type": "xsd:int" }, "dbo:formula": "C12H12N2O", "rdfs:seeAlso": { "@id": "compound:7579" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:OWXJKYNZGFSVRC-NSCUHMNNSA-N", "dbo:casNumber": [ "36472-34-1", "16136-85-9" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "['1-chloroprop-1-ene', '(E)-1-chloroprop-1-ene']" }, "dbo:formula": "C3H5Cl", "rdfs:seeAlso": { "@id": "compound:5284364" }, "skos:notation": "t1Cl1C3e", "dbp:inchikey": "OWXJKYNZGFSVRC-NSCUHMNNSA-N", "dbo:inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+", "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "dbo:pubchem": { "@value": "5284364", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "trans-1-chloor-1-propeen" }, "dbo:smiles": "CC=CCl" }, { "@id": "csc:UISUNVFOGSJSKD-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)F", "skos:notation": "Clfazrn", "dbo:inchi": "InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)", "skos:prefLabel": { "@language": "nl", "@value": "chloorfluazuron" }, "dbo:pubchem": { "@value": "91708", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004513" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "71422-67-8", "dbo:formula": "C20H9Cl3F5N3O3", "dbo:iupacName": { "@language": "en", "@value": "N-[[3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide" }, 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"vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1H-Pyrazole" }, "skos:notation": "pyrzl", "rdfs:seeAlso": { "@id": "compound:1048" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "1048", "@type": "xsd:int" }, "dbo:casNumber": [ "288-13-1", "116421-36-4", "53153-43-8" ], "dbo:formula": "C3H4N2", "dbo:inchi": "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)", "skos:prefLabel": { "@language": "nl", "@value": "pyrazol" }, "dbo:smiles": "C1=CNN=C1" }, { "@id": "csc:IBSREHMXUMOFBB-MVGRHBATSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "abmtne", "rdfs:seeAlso": { "@id": "compound:6435890" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C95H142O28", "dbo:inchi": 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"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" } }, { "@id": "csc:VLJXXKKOSFGPHI-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCC(C)CC", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3", "dbo:formula": "C7H16", "dbo:casNumber": [ "116502-45-5", "589-34-4" ], "skos:notation": "3C1yC6a", "skos:prefLabel": { "@language": "nl", "@value": "3-methylhexaan" }, "dbp:inchikey": "VLJXXKKOSFGPHI-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "3-Methylhexane" }, "skos:broader": { "@id": "csc:CHEMONTID_0004620" }, "rdfs:seeAlso": { "@id": "compound:11507" }, "dbo:pubchem": { "@value": "11507", "@type": "xsd:int" } }, { "@id": "csc:GEHJBWKLJVFKPS-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "GEHJBWKLJVFKPS-UHFFFAOYSA-N", "dbo:formula": "C2H2BrClO2", "dbo:pubchem": { "@value": "542762", "@type": "xsd:int" }, "dbo:smiles": "C(C(=O)O)(Cl)Br", "dbo:iupacName": { "@language": "en", "@value": "2-bromo-2-chloroacetic acid" }, "rdfs:seeAlso": { "@id": "compound:542762" }, "skos:notation": "BrClHAc", "dbo:casNumber": "5589-96-8", "dbo:inchi": "InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)", "skos:prefLabel": { "@language": "nl", "@value": "broomchloorazijnzuur" }, "skos:broader": { "@id": "csc:CHEMONTID_0003000" } }, { "@id": "csc:SHKUUQIDMUMQQK-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane" }, "dbo:formula": "C10H18O4", "dbo:casNumber": [ "162786-24-5", "29611-97-0", "2425-79-8", "134498-52-5", "152618-32-1", "83138-98-1", "54350-59-3", "139074-76-3" ], "skos:prefLabel": { "@language": "nl", "@value": "1,4-butaandioldiglycidylether" }, "dbo:smiles": "C1C(O1)COCCCCOCC2CO2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "14C4aDoDgcdE", "dbp:inchikey": "SHKUUQIDMUMQQK-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "17046", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2", "rdfs:seeAlso": { "@id": "compound:17046" }, "skos:broader": { "@id": "csc:CHEMONTID_0000159" } }, { "@id": "csc:OIRFJRBSRORBCM-UHFFFAOYSA-N", "dbp:inchikey": "OIRFJRBSRORBCM-UHFFFAOYSA-N", "dbo:smiles": "CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O", "rdfs:seeAlso": { "@id": "compound:3735" }, "dbo:iupacName": { "@language": "en", "@value": "2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid" }, "dbo:casNumber": "96-83-3", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "3735", "@type": "xsd:int" }, "skos:notation": "jopninzr", "dbo:inchi": "InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C11H12I3NO2", "skos:broader": { "@id": "csc:CHEMONTID_0002551" }, "skos:prefLabel": { "@language": "nl", "@value": "jopanoïnezuur" } }, { "@id": "csc:KKCBUQHMOMHUOY-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "disodium oxygen(-2) anion" }, "dbo:casNumber": [ "37382-45-9", "1313-59-3" ], "skos:notation": "Na2O", "dbo:formula": "Na2O", "skos:prefLabel": { "@language": "nl", "@value": "dinatriumoxide" }, "dbp:inchikey": "KKCBUQHMOMHUOY-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000526" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "73971", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/2Na.O/q2*+1;-2", "dbo:smiles": "[O-2].[Na+].[Na+]", "rdfs:seeAlso": { "@id": "compound:73971" } }, { "@id": "csc:VACCAVUAMIDAGB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "5328", "@type": "xsd:int" }, "dbo:casNumber": "144-82-1", "skos:prefLabel": { "@language": "nl", "@value": "sulfamethizol" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0001925" }, "dbo:iupacName": { "@language": "en", "@value": "4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide" }, "dbo:smiles": "CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N", "dbp:inchikey": "VACCAVUAMIDAGB-UHFFFAOYSA-N", "dbo:formula": "C9H10N4O2S2", "rdfs:seeAlso": { "@id": "compound:5328" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)", "skos:notation": "sulfmtzl" }, { "@id": "csc:BFKJFAAPBSQJPD-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "tetrafluoretheen" }, "dbo:pubchem": { "@value": "8301", "@type": "xsd:int" }, "skos:notation": "T4FC2e", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "9014-83-9", "116-14-3" ], "dbo:inchi": "InChI=1S/C2F4/c3-1(4)2(5)6", "skos:broader": { "@id": "csc:CHEMONTID_0002861" }, "dbo:smiles": "C(=C(F)F)(F)F", "dbp:inchikey": "BFKJFAAPBSQJPD-UHFFFAOYSA-N", "dbo:formula": "C2F4", "rdfs:seeAlso": { "@id": "compound:8301" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,2,2-tetrafluoroethene" } }, { "@id": "csc:QGBSISYHAICWAH-UHFFFAOYSA-N", "dbo:casNumber": [ "139351-77-2", "461-58-5", "157480-33-6", "125148-58-5", "139351-78-3" ], "skos:prefLabel": { "@language": "nl", "@value": "cyaanguanidine" }, "dbp:inchikey": "QGBSISYHAICWAH-UHFFFAOYSA-N", "dbo:formula": "C2H4N4", "skos:notation": "CNgandne", "dbo:pubchem": { "@value": "10005", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000375" }, "dbo:inchi": "InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)", "dbo:iupacName": { "@language": "en", "@value": "2-Cyanoguanidine" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(#N)N=C(N)N", "rdfs:seeAlso": { "@id": "compound:10005" } }, { "@id": "csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II (D5) 'thallium en thalliumverbindingen, uitgedrukt als thallium'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'thallium en zijn verbindingen, uitgedrukt in Se'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Tl'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.2 'thallium'" }, { "@language": "nl", "@value": "VLAR III (D3) 'thallium en de verbindingen daarvan, uitgedrukt als thallium (Tl)" } ], "skos:definition": { "@language": "nl", "@value": "thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)" }, "dbo:casNumber": [ "82870-81-3", "113835-49-7", "7440-28-0" ], "skos:prefLabel": { "@language": "nl", "@value": "thallium" }, "dbo:inchi": "InChI=1S/Tl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_7440-28-0" }, "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" } ], "dbo:pubchem": { "@value": "5359464", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "Tl", "dbo:iupacName": { "@language": "en", "@value": "THALLIUM" }, "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "dbo:smiles": "[Tl]", "dbp:inchikey": "BKVIYDNLLOSFOA-UHFFFAOYSA-N", "dbo:formula": "Tl", "rdfs:seeAlso": { "@id": "compound:5359464" } }, { "@id": "csc:YIWUKEYIRIRTPP-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7720" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3", "skos:prefLabel": { "@language": "nl", "@value": "2-ethyl-1-hexanol" }, "skos:broader": { "@id": "csc:CHEMONTID_0001334" }, "dbo:casNumber": [ "111675-57-1", "704-76-7", "104-76-7" ], "dbo:formula": "C8H18O", "dbo:smiles": "CCCCC(CC)CO", "skos:notation": "2C2y1C6ol", "dbo:pubchem": { "@value": "7720", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-Ethylhexan-1-ol" }, "dbp:inchikey": "YIWUKEYIRIRTPP-UHFFFAOYSA-N" }, { "@id": "csc:XGZVUEUWXADBQD-UHFFFAOYSA-L", "dbp:inchikey": "XGZVUEUWXADBQD-UHFFFAOYSA-L", "skos:broader": { "@id": "csc:CHEMONTID_0001521" }, "dbo:casNumber": [ "10377-37-4", "12767-19-0", "554-13-2", "216964-61-3" ], "dbo:formula": "CLi2O3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2", "rdfs:seeAlso": { "@id": "compound:11125" }, "dbo:smiles": "[Li+].[Li+].C(=O)([O-])[O-]", "dbo:pubchem": { "@value": "11125", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "lithium carbonaat" }, "dbo:iupacName": { "@language": "en", "@value": "Dilithium carbonate" }, "skos:notation": "LiCO3" }, { "@id": "csc:VDBHOHJWUDKDRW-UHFFFAOYSA-N", "dbo:smiles": "CC1C(C2=C(C1(C)C)C=C(C(=C2)C)C(=O)C)(C)C", "rdfs:seeAlso": { "@id": "compound:47167" }, "dbo:casNumber": [ "15323-35-0", "55599-08-1", "64058-43-1" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C17H24O", "skos:notation": "AHMI", "skos:broader": { "@id": "csc:CHEMONTID_0000027" }, "dbp:inchikey": "VDBHOHJWUDKDRW-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone" }, "dbo:pubchem": { "@value": "47167", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3", "skos:prefLabel": { "@language": "nl", "@value": "5-acetyl-1,1,2,3,3,6-hexamethylindaan" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:VOTXWUCYIOPNNR-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "69855", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-]", "dbo:formula": "C6H5ClN2O2", "rdfs:seeAlso": { "@id": "compound:69855" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "dbp:inchikey": "VOTXWUCYIOPNNR-UHFFFAOYSA-N", "skos:notation": "2Cl6NO2An", "dbo:inchi": "InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2", "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-6-nitroaniline" }, "dbo:iupacName": { "@language": "en", "@value": "2-Chloro-6-nitroaniline" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "769-11-9" }, { "@id": "csc:LEQAOMBKQFMDFZ-UHFFFAOYSA-N", "dbo:casNumber": [ "40094-65-3", "107-22-2", "83513-30-8", "9005-91-8" ], "skos:prefLabel": { "@language": "nl", "@value": "glyoxaal" }, "dbo:inchi": "InChI=1S/C2H2O2/c3-1-2-4/h1-2H", "dbo:formula": "C2H2O2", "rdfs:seeAlso": { "@id": "compound:7860" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C(=O)C=O", "dbp:inchikey": "LEQAOMBKQFMDFZ-UHFFFAOYSA-N", "skos:notation": "glyoxl", "dbo:iupacName": { "@language": "en", "@value": "oxaldehyde" }, "dbo:pubchem": { "@value": "7860", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002230" } }, { "@id": "csc:UHXUZOCRWCRNSJ-QPJJXVBHSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "16752-77-5", "19928-35-9" ], "rdfs:seeAlso": { "@id": "compound:5353758" }, "dbp:inchikey": "UHXUZOCRWCRNSJ-QPJJXVBHSA-N", "dbo:inchi": "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+", "dbo:pubchem": { "@value": "5353758", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002285" }, "dbo:formula": "C5H10N2O2S", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "methomyl" }, "dbo:iupacName": { "@language": "en", "@value": "(1-methylsulfanylethylideneamino) N-methylcarbamate" }, "dbo:smiles": "CC(=NOC(=O)NC)SC", "skos:notation": "metml" }, { "@id": "csc:VAHKBZSAUKPEOV-UHFFFAOYSA-N", "dbo:casNumber": [ "16606-02-3", "63439-93-0" ], "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:pubchem": { "@value": "27960", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:27960" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4',5-trichloorbifenyl" }, "dbo:iupacName": { "@language": "en", "@value": "1,4-dichloro-2-(4-chlorophenyl)benzene" }, "dbp:inchikey": "VAHKBZSAUKPEOV-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H", "skos:notation": "PCB31", "dbo:formula": "C12H7Cl3" }, { "@id": "csc:OYTJKRAYGYRUJK-FMCCZJBLSA-M", "dbo:pubchem": { "@value": "441351", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "119302-91-9", "dbo:formula": "C32H53BrN2O4", "skos:prefLabel": { "@language": "nl", "@value": "rocuronium bromide" }, "dbo:iupacName": { "@language": "en", "@value": "[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]", "rdfs:seeAlso": { "@id": "compound:441351" }, "dbo:inchi": 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"2-[2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol" }, "skos:broader": { "@id": "csc:CHEMONTID_0003338" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "nonylfenolhexaethoxylaat" } }, { "@id": "csc:DCTOHCCUXLBQMS-UHFFFAOYSA-N", "dbo:casNumber": [ "68526-57-8", "821-95-4", "10-01-5" ], "skos:prefLabel": { "@language": "nl", "@value": "1-undeceen" }, "dbo:inchi": "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3", "skos:broader": { "@id": "csc:CHEMONTID_0004476" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "1C11e", "dbo:smiles": "CCCCCCCCCC=C", "dbo:pubchem": { "@value": "13190", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "undec-1-ene" }, "dbp:inchikey": "DCTOHCCUXLBQMS-UHFFFAOYSA-N", "dbo:formula": "C11H22", "rdfs:seeAlso": { "@id": "compound:13190" } }, { "@id": "csc:WHHGLZMJPXIBIX-UHFFFAOYSA-N", "dbo:casNumber": [ "145538-74-5", "109945-70-2", "1163-19-5" ], "skos:broader": { "@id": "csc:CHEMONTID_0001845" }, "dbo:inchi": "InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22", "skos:notation": "PBDE209", "rdfs:seeAlso": { "@id": "compound:14410" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br", "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,3',4,4',5,5',6,6'-decabroomdiphenylether" }, "dbo:pubchem": { "@value": "14410", "@type": "xsd:int" }, "dbo:formula": "C12Br10O", "skos:exactMatch": { "@id": "wise:CAS_1163-19-5" }, "skos:altLabel": [ { "@language": "nl", "@value": "bde 209" }, { "@language": "nl", "@value": "decabroomdifenylether (bde209)" } ], "dbp:inchikey": "WHHGLZMJPXIBIX-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:HEMHJVSKTPXQMS-UHFFFAOYSA-M", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "natriumhydroxide" }, "dbo:formula": "HNaO", "rdfs:seeAlso": { "@id": "compound:14798" }, "dbo:inchi": "InChI=1S/Na.H2O/h;1H2/q+1;/p-1", "skos:notation": "NaOH", "skos:broader": { "@id": "csc:CHEMONTID_0001270" }, "dbp:inchikey": "HEMHJVSKTPXQMS-UHFFFAOYSA-M", "dbo:iupacName": { "@language": "en", "@value": "SODIUM HYDROXIDE" }, "dbo:smiles": "[OH-].[Na+]", "dbo:casNumber": [ "1310-73-2", "8012-01-9" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "14798", "@type": "xsd:int" } }, { "@id": "csc:CRVGTESFCCXCTH-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C5H13NO2", "dbo:casNumber": [ "511262-76-3", "105-59-9" 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"dbo:casNumber": [ "14866-68-3", "13932-10-0" ], "skos:broader": { "@id": "csc:CHEMONTID_0001049" }, "skos:prefLabel": { "@language": "nl", "@value": "chloraat" }, "skos:notation": [ "ClO3", "ClTO" ], "dbo:inchi": "InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1", "skos:altLabel": { "@language": "nl", "@value": "chloortrioxide" }, "dbo:iupacName": { "@language": "en", "@value": "Chlorate" } }, { "@id": "csc:MNWFXJYAOYHMED-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)", "dbo:iupacName": { "@language": "en", "@value": "Heptanoic acid" }, "skos:prefLabel": { "@language": "nl", "@value": "heptaanzuur" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0003086" }, "dbp:inchikey": "MNWFXJYAOYHMED-UHFFFAOYSA-N", "dbo:formula": "C7H14O2", "dbo:pubchem": { "@value": "8094", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:8094" }, "dbo:casNumber": "111-14-8", "skos:notation": "C7azr", 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"@language": "nl", "@value": "PCB 157" }, { "@language": "nl", "@value": "pcb 157" }, { "@language": "nl", "@value": "2,3,3',4,4',5'-hexachloorbifenyl (pcb157)" } ], "dbo:smiles": "C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl)Cl", "rdfs:comment": { "@language": "nl", "@value": "VLAR III (D3) 'dioxineachtige PCB's'" }, "skos:notation": "PCB157", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H", "rdfs:seeAlso": { "@id": "compound:50891" }, "dbo:pubchem": { "@value": "50891", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_69782-90-7" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-trichloro-5-(2,3,4-trichlorophenyl)benzene" } }, { "@id": "csc:YMHOBZXQZVXHBM-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "2-(4-broom-2,5-dimethoxyfenyl) ethylamine" }, "dbo:casNumber": "66142-81-2", "skos:notation": "24Br25DC1oxF", "dbo:iupacName": { "@language": "en", "@value": "2-(4-bromo-2,5-dimethoxyphenyl)ethanamine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:98527" }, "skos:broader": { "@id": "csc:CHEMONTID_0004111" }, "dbo:formula": "C10H14BrNO2", "dbo:pubchem": { "@value": "98527", "@type": "xsd:int" }, "dbo:smiles": "COC1=CC(=C(C=C1CCN)OC)Br", "dbp:inchikey": "YMHOBZXQZVXHBM-UHFFFAOYSA-N" }, { "@id": "csc:ZXCYIJGIGSDJQQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2", "dbo:casNumber": [ "616-23-9", "82890-22-0" ], "skos:broader": { "@id": "csc:CHEMONTID_0002608" }, "dbo:formula": "C3H6Cl2O", "dbo:smiles": "C(C(CCl)Cl)O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, 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"GDSQRBLILFKERU-UHFFFAOYSA-N", "dbo:formula": "C3HCl2F5", "skos:notation": "HCFK225bb" }, { "@id": "csc:BSBSDQUZDZXGFN-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004748" }, "skos:notation": "cytoat", "dbo:inchi": "InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)", "dbp:inchikey": "BSBSDQUZDZXGFN-UHFFFAOYSA-N", "dbo:casNumber": "115-93-5", "dbo:pubchem": { "@value": "8293", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "cythioaat" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "4-dimethoxyphosphinothioyloxybenzenesulfonamide" }, "dbo:smiles": "COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:8293" }, "dbo:formula": "C8H12NO5PS2" }, { "@id": "csc:ADFXKUOMJKEIND-UHFFFAOYSA-N", "skos:notation": "13DccC6yurum", "dbo:inchi": "InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)", "skos:prefLabel": { "@language": "nl", "@value": "1,3-dicyclohexylureum" }, "dbp:inchikey": "7847", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": "2387-23-7", "dbo:smiles": "C1CCC(CC1)NC(=O)NC2CCCCC2", "dbo:formula": "C13H24N2O", "dbo:iupacName": { "@language": "en", "@value": "1,3-Dicyclohexylurea" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:4277" }, "dbo:pubchem": { "@value": "4277", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000517" } }, { "@id": "csc:RRZXIRBKKLTSOM-XPNPUAGNSA-N", "dbo:inchi": "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "avermectin B1a" }, "rdfs:seeAlso": { "@id": "compound:6434889" }, "dbp:inchikey": "RRZXIRBKKLTSOM-XPNPUAGNSA-N", "dbo:formula": "C48H72O14", "skos:broader": { "@id": "csc:CHEMONTID_0000147" }, "dbo:smiles": "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C", "skos:notation": "acmtnB1a", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "65195-55-3", "dbo:pubchem": { "@value": "6434889", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one" }, "skos:altLabel": { "@language": "nl", "@value": "avermectin b1a" } }, { "@id": "csc:ILBWBNOBGCYGSU-UHFFFAOYSA-N", "dbo:casNumber": "1000-05-1", "dbo:pubchem": { "@value": "6328651", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,3,3,5,5,7,7-Octamethyltetrasiloxane" }, "dbp:inchikey": "ILBWBNOBGCYGSU-UHFFFAOYSA-N", "skos:notation": "OcC1yT4slxn", "skos:prefLabel": { "@language": "nl", "@value": "octamethyltetrasiloxaan" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C8H24O3Si4", "dbo:inchi": "InChI=1S/C8H24O3Si4/c1-12(2)9-14(5,6)11-15(7,8)10-13(3)4/h1-8H3", "dbo:smiles": "C[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C", "skos:broader": { "@id": "csc:CHEMONTID_0004446" }, "rdfs:seeAlso": { "@id": "compound:6328651" } }, { "@id": "csc:XTAHLACQOVXINQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C12H2Cl6O", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" }, { "@language": "nl", "@value": "VLAR II+ bijlagen" } ], "skos:exactMatch": { "@id": "wise:CAS_60851-34-5" }, "rdfs:seeAlso": { "@id": "compound:43495" }, "dbo:pubchem": { "@value": "43495", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003029" }, "skos:prefLabel": { "@language": "nl", "@value": " 2,3,4,6,7,8-hexachloordibenzofuraan" }, "dct:isReferencedBy": { "@id": "co:LUC_VI_002" }, "skos:altLabel": [ { "@language": "nl", "@value": "2,3,4,6,7,8-hexachloordibenzofuran" }, { "@language": "nl", "@value": "2,3,4,6,7,8-hexachloordibenzofuraan (hxcdf)" }, { "@language": "nl", "@value": "2,3,4,6,7,8-hexachloordibenzofuraan" } ], "skos:notation": "PCDF130", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=C2C3=CC(=C(C(=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl", "dbo:casNumber": "60851-34-5", "dbo:inchi": "InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H", "dbp:inchikey": "XTAHLACQOVXINQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,3,4,6,7,8-HEXACHLORODIBENZOFURAN" } }, { "@id": "csc:PPKPKFIWDXDAGC-NSCUHMNNSA-N", "dbo:casNumber": "7069-38-7", "skos:prefLabel": { "@language": "nl", "@value": "trans-1,2-dichloorpropeen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "PPKPKFIWDXDAGC-NSCUHMNNSA-N", "dbo:pubchem": { "@value": "5366870", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2+", "dbo:smiles": "CC(=CCl)Cl", 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"compound:10958205" }, "dbp:inchikey": "FUVKFLJWBHVMHX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ] }, { "@id": "csc:MQHNKCZKNAJROC-UHFFFAOYSA-N", "dbo:smiles": "CCCOC(=O)C1=CC=CC=C1C(=O)OCCC", "dbo:formula": "C14H18O4", "dbo:casNumber": "131-16-8", "rdfs:seeAlso": { "@id": "compound:8559" }, "skos:exactMatch": { "@id": "wise:CAS_131-16-8" }, "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbo:iupacName": { "@language": "en", "@value": "dipropyl benzene-1,2-dicarboxylate" }, "dbo:pubchem": { "@value": "8559", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "dipropylftalaat" }, "skos:notation": "DC3yFt", "dbp:inchikey": "MQHNKCZKNAJROC-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" }, { "@id": "csc:RRVIAQKBTUQODI-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CNC(=O)N(C)C1=NC2=CC=CC=C2S1", "skos:altLabel": { "@language": "nl", "@value": "methabenzthiazuron" }, "skos:prefLabel": { "@language": "nl", "@value": "metabenzthiazuron" }, "skos:exactMatch": { "@id": "wise:CAS_18691-97-9" }, "rdfs:seeAlso": { "@id": "compound:29216" }, "dbo:formula": "C10H11N3OS", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "18691-97-9", "skos:notation": "metbtazrn", "dbp:inchikey": "RRVIAQKBTUQODI-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000311" }, "dbo:iupacName": { "@language": "en", "@value": "1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea" }, "dbo:pubchem": { "@value": "29216", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)" }, { "@id": "csc:WWZKQHOCKIZLMA-UHFFFAOYSA-N", "dbp:inchikey": "WWZKQHOCKIZLMA-UHFFFAOYSA-N", 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"dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "[Ba]" }, { "@id": "csc:XJCVRTZCHMZPBD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:inchi": "InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2", "rdfs:seeAlso": { "@id": "compound:7423" }, "dbo:casNumber": [ "99-09-2", "12262-63-4" ], "dbo:pubchem": { "@value": "7423", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=CC(=C1)[N+](=O)[O-])N", "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "dbo:formula": "C6H6N2O2", "skos:prefLabel": { "@language": "nl", "@value": "3-nitroaniline" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "3NO2An", "dbp:inchikey": "XJCVRTZCHMZPBD-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "3-Nitroaniline" } }, { "@id": "csc:WIFXJBMOTMKRMM-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10140464", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004155" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC(F)(F)Br", "dbo:casNumber": "111872-58-3", "skos:prefLabel": { "@language": "nl", "@value": "halfenprox" }, "dbo:inchi": "InChI=1S/C24H23BrF2O3/c1-23(2,19-11-13-21(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3", "dbo:formula": "C24H23BrF2O3", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "1-(bromo-difluoromethoxy)-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene" }, "skos:notation": "halepx", "rdfs:seeAlso": { "@id": "compound:10140464" }, "dbp:inchikey": "WIFXJBMOTMKRMM-UHFFFAOYSA-N" }, { "@id": "csc:WSSSPWUEQFSQQG-UHFFFAOYSA-N", "dbo:formula": "C6H12", "dbp:inchikey": "WSSSPWUEQFSQQG-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004476" }, "dbo:pubchem": { "@value": "12724", "@type": "xsd:int" }, "dbo:smiles": "CC(C)CC=C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "691-37-2", "25068-26-2", "44390-46-7" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "4C1y1C5e", "dbo:inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3", "rdfs:seeAlso": { "@id": "compound:12724" }, "dbo:iupacName": { "@language": "en", "@value": "4-Methylpent-1-ene" }, "skos:prefLabel": { "@language": "nl", "@value": "4-methyl-1-penteen" } }, { "@id": "csc:DSRNRYQBBJQVCW-UHFFFAOYSA-N", "skos:notation": "metxrn", "skos:exactMatch": { "@id": "wise:CAS_19937-59-8" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "29863", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:29863" }, "dbo:inchi": "InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)", "skos:broader": { "@id": "csc:CHEMONTID_0001935" }, "skos:prefLabel": { "@language": "nl", "@value": "metoxuron" }, "dbo:formula": "C10H13ClN2O2", "dbo:smiles": "CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl", "dbp:inchikey": "DSRNRYQBBJQVCW-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "3-(3-Chloro-4-methoxyphenyl)-1,1-dimethylurea" }, "dbo:casNumber": "19937-59-8" }, { "@id": "csc:DOGIHOCMZJUJNR-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "16665", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004620" }, "skos:prefLabel": { "@language": "nl", "@value": "4-methyloctaan" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C9H20", "dbo:inchi": "InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3", "dbp:inchikey": "DOGIHOCMZJUJNR-UHFFFAOYSA-N", "dbo:casNumber": "2216-34-4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "4C1yC8a", "dbo:iupacName": { "@language": "en", "@value": "4-Methyloctane" }, "rdfs:seeAlso": { "@id": "compound:16665" }, "dbo:smiles": "CCCCC(C)CCC" }, { "@id": "csc:FAOZLTXFLGPHNG-KNAQIMQKSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0001468" }, "dbo:formula": "C22H29FO4", "dbo:pubchem": { "@value": "9878", "@type": "xsd:int" }, "dbo:smiles": "CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O", "rdfs:seeAlso": { "@id": "compound:9878" }, "skos:notation": "Fmtln", "dbo:inchi": "InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1", "dbo:casNumber": "426-13-1", "dbo:iupacName": { "@language": "en", "@value": "(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "fluormetholon" }, "dbp:inchikey": "FAOZLTXFLGPHNG-KNAQIMQKSA-N" }, { "@id": "csc:XKXPBJBODVHDAW-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-(4-amino-2-chlorophenyl)-3-chloroaniline" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "2,2'-dichloorbenzidine" }, "rdfs:seeAlso": { "@id": "compound:66538" }, "skos:altLabel": { "@language": "nl", "@value": "2,2’-dichloorbenzidine" }, "dbo:formula": "C12H10Cl2N2", "dbo:smiles": "C1=CC(=C(C=C1N)Cl)C2=C(C=C(C=C2)N)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0003955" }, "skos:notation": "22DClbzdne", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "84-68-4", "dbo:inchi": "InChI=1S/C12H10Cl2N2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1-6H,15-16H2", "dbo:pubchem": { "@value": "66538", "@type": "xsd:int" }, "dbp:inchikey": "XKXPBJBODVHDAW-UHFFFAOYSA-N" }, { "@id": "csc:VSVAQRUUFVBBFS-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:91771" }, "dbp:inchikey": "VSVAQRUUFVBBFS-UHFFFAOYSA-N", "dbo:formula": "C31H23BrO2S", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2", "skos:prefLabel": { "@language": "nl", "@value": "difethialon" }, "skos:broader": { "@id": "csc:CHEMONTID_0002044" }, "dbo:pubchem": { "@value": "91771", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxythiochromen-4-one" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1C(CC2=CC=CC=C2C1C3=C(SC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br", "skos:notation": "Dftiln", "dbo:casNumber": "104653-34-1" }, { "@id": "csc:GBDZXPJXOMHESU-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "GBDZXPJXOMHESU-UHFFFAOYSA-N", "skos:notation": "1234T4ClBen", "dbo:pubchem": { "@value": "12463", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H", "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,4-tetrachloorbenzeen" }, "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbo:smiles": "C1=CC(=C(C(=C1Cl)Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4-Tetrachlorobenzene" }, "rdfs:seeAlso": { "@id": "compound:12463" }, "dbo:casNumber": [ "634-66-2", "63697-20-1", "13280-72-3" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C6H2Cl4" }, { "@id": "csc:HUMNYLRZRPPJDN-UHFFFAOYSA-N", "skos:notation": "BenAh", "skos:broader": { "@id": "csc:CHEMONTID_0000321" }, "dbo:casNumber": "100-52-7", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "benzaldehyde" }, "dbo:smiles": "C1=CC=C(C=C1)C=O", "dbo:pubchem": { "@value": "240", "@type": 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"C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.N", "skos:broader": { "@id": "csc:CHEMONTID_0003962" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluoroctaanzuur, ammoniumzout" } }, { "@id": "csc:GTVWRXDRKAHEAD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "GTVWRXDRKAHEAD-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6537" }, "dbo:pubchem": { "@value": "6537", "@type": "xsd:int" }, "dbo:formula": "C24H51O4P", "dbo:inchi": "InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3", "skos:notation": "tris2C2yC6yP", "skos:prefLabel": { "@language": "nl", "@value": "tris(2-ethylhexyl)fosfaat" }, "dbo:casNumber": "78-42-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003460" }, "dbo:iupacName": { "@language": "en", "@value": "['Tris(2-ethylhexyl) phosphate', 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"CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O", "skos:prefLabel": { "@language": "nl", "@value": "estriol" }, "skos:altLabel": { "@language": "nl", "@value": "oestriol" }, "dbp:inchikey": "PROQIPRRNZUXQM-ZXXIGWHRSA-N", "rdfs:seeAlso": { "@id": "compound:5756" }, "dbo:casNumber": "50-27-1", "dbo:pubchem": { "@value": "5756", "@type": "xsd:int" } }, { "@id": "csc:VJAWBEFMCIINFU-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "nittliC3y", "dbo:pubchem": { "@value": "43704", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate" }, "skos:broader": { "@id": "csc:CHEMONTID_0004010" }, "dbo:inchi": "InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3", "rdfs:seeAlso": { "@id": "compound:43704" }, "skos:prefLabel": { 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"skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3", "rdfs:seeAlso": { "@id": "compound:14115" }, "dbo:smiles": "CCCCCCCC1=CC=CC=C1", "dbo:casNumber": "1078-71-3", "skos:prefLabel": { "@language": "nl", "@value": "heptylbenzeen" }, "dbo:pubchem": { "@value": "14115", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:iupacName": { "@language": "en", "@value": "Heptylbenzene" }, "dbp:inchikey": "LBNXAWYDQUGHGX-UHFFFAOYSA-N", "skos:notation": "C7yBen", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C13H20" }, { "@id": "csc:KIEDNEWSYUYDSN-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3", "skos:prefLabel": { "@language": "nl", "@value": "clomazon" }, "dbo:formula": "C12H14ClNO2", "dbo:pubchem": { "@value": "54778", "@type": "xsd:int" }, "dbo:casNumber": [ "89493-06-1", "81777-89-1" ], "rdfs:seeAlso": { "@id": "compound:54778" }, "skos:notation": "clomzn", "dbp:inchikey": "KIEDNEWSYUYDSN-UHFFFAOYSA-N", "dbo:smiles": "CC1(CON(C1=O)CC2=CC=CC=C2Cl)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001099" } }, { "@id": "csc:GQPLMRYTRLFLPF-UHFFFAOYSA-N", "dbp:inchikey": "GQPLMRYTRLFLPF-UHFFFAOYSA-N", "dbo:casNumber": [ "130835-71-1", "175876-44-5", "147527-07-9", "10024-97-2", "126386-65-0", "129451-49-6" ], "skos:altLabel": [ { "@language": "nl", "@value": "distikstofoxide (N2O)" }, { "@language": "nl", "@value": "distikstofoxide (lachgas)" } ], "dbo:iupacName": { "@language": "en", "@value": "nitrous oxide" }, "skos:broader": { "@id": "csc:CHEMONTID_0000553" }, "dbo:smiles": "[N-]=[N+]=O", "skos:notation": "N2O", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II (D1, definities broeikasgassen)" }, { "@language": "nl", "@value": "VLAR III (D3) 'N2O'" } ], "dbo:formula": "N2O", "dbo:pubchem": { "@value": "948", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:948" }, "dbo:inchi": "InChI=1S/N2O/c1-2-3", "skos:prefLabel": { "@language": "nl", "@value": "distikstofoxide (n2o)" } }, { "@id": "csc:BAZVSMNPJJMILC-STQMWFEESA-N", "skos:prefLabel": { "@language": "nl", "@value": "triadimenol-A" }, "skos:notation": "TadmnlA", "dbo:inchi": "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13-/m0/s1", "skos:altLabel": { "@language": "nl", "@value": "triadimenol-a" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "rdfs:seeAlso": { "@id": "compound:92416" }, "dbo:pubchem": { 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"vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:notation": "ttC4ol", "rdfs:seeAlso": { "@id": "compound:6386" }, "skos:broader": { "@id": "csc:CHEMONTID_0001670" }, "dbo:pubchem": { "@value": "6386", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "tertiair-butanol" }, "dbp:inchikey": "DKGAVHZHDRPRBM-UHFFFAOYSA-N", "dbo:casNumber": "75-65-0", "dbo:formula": "C4H10O" }, { "@id": "csc:BASFCYQUMIYNBI-UHFFFAOYSA-N", "dbo:smiles": "[Pt]", "dbo:casNumber": [ "21547-63-7", "7440-06-4" ], "dbo:pubchem": { "@value": "23939", "@type": "xsd:int" }, "dbo:formula": "Pt", "dbp:inchikey": "BASFCYQUMIYNBI-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:inchi": "InChI=1S/Pt", "skos:notation": "Pt", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:altLabel": { "@language": "nl", "@value": "platina (Pt)" }, "skos:prefLabel": { "@language": "nl", "@value": "platina" }, "dbo:iupacName": { "@language": "en", "@value": "PLATINUM" }, "skos:definition": { "@language": "nl", "@value": "Platina en zijn verbindingen, uitgedrukt als Pt" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:23939" } }, { "@id": "csc:RWSOTUBLDIXVET-UHFFFAOYSA-N", "dbo:casNumber": [ "12767-24-7", "57035-13-9", "7704-34-9", "63705-05-5", "13465-07-1", "7783-06-4", "56449-52-6", "12673-82-4", "81032-32-8", "8050-82-6", "56645-30-8", "11144-15-3", "56591-09-4", "12684-31-0" ], "skos:broader": { "@id": "csc:CHEMONTID_0000555" }, "dbo:pubchem": { "@value": "402", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "hydrogen sulfide" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:402" }, "skos:notation": [ "S8", "H2S" ], "skos:altLabel": [ { "@language": "nl", "@value": "octylzwavel" }, { "@language": "nl", "@value": "waterstofsulfide (H2S)" } ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'zwavelwaterstof'" }, { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2 'zwavelwaterstof'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'H2S' en 'H2S-gehalte'" }, { "@language": "nl", "@value": "VLAR II Art. 5.28.3.5.1 'H2S'" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.14.1" } ], "dbo:smiles": "S", "dbo:formula": "H2S", "skos:exactMatch": { "@id": "wise:CAS_7783-06-4" }, "dbo:inchi": "InChI=1S/H2S/h1H2", "skos:prefLabel": { "@language": "nl", "@value": "waterstofsulfide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "RWSOTUBLDIXVET-UHFFFAOYSA-N" }, { "@id": "csc:JIGUQPWFLRLWPJ-UHFFFAOYSA-N", "dbo:casNumber": [ "153313-65-6", "9003-32-1", "140-88-5", "169238-64-6", "37199-30-7", "116404-62-7", "87605-70-7" ], "dbo:formula": "C5H8O2", "dbo:iupacName": { "@language": "en", "@value": "ethyl prop-2-enoate" }, "skos:prefLabel": { "@language": "nl", "@value": "ethylacrylaat" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:pubchem": { "@value": "8821", "@type": "xsd:int" }, "skos:notation": "C2yaclt", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dct:isReferencedBy": [ { "@id": "co:LUC_IV_012" }, { "@id": "co:LUC_IV_004" }, { "@id": "co:LUC_IV_000" } ], "dbo:inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3", "skos:broader": { "@id": "csc:CHEMONTID_0004452" }, "dbo:smiles": "CCOC(=O)C=C", "dbp:inchikey": "JIGUQPWFLRLWPJ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8821" } }, { "@id": "csc:KFUSEUYYWQURPO-UPHRSURJSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:altLabel": { "@language": "nl", "@value": "1,2-dichlooretheen,cis" }, "skos:notation": "c12DClC2e", "dbo:inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-", "skos:exactMatch": { "@id": "wise:CAS_156-59-2" }, "dbo:pubchem": { "@value": "643833", "@type": "xsd:int" }, "dbo:formula": "C2H2Cl2", "skos:prefLabel": { "@language": "nl", "@value": "cis-1,2-dichlooretheen" }, "dbp:inchikey": "KFUSEUYYWQURPO-UPHRSURJSA-N", "dbo:casNumber": "156-59-2", "dct:isReferencedBy": { "@id": "co:LUC_IV_011" }, "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(=CCl)Cl", "rdfs:seeAlso": { "@id": "compound:643833" }, "dbo:iupacName": { "@language": "en", "@value": "(Z)-1,2-Dichloroethene" } }, { "@id": "csc:ZBCBWPMODOFKDW-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-(2-Hydroxyethylamino)ethanol" }, "dbp:inchikey": "ZBCBWPMODOFKDW-UHFFFAOYSA-N", "dbo:casNumber": [ "8033-73-6", "61791-46-6", "61791-44-4", "111-42-2" ], "skos:notation": "DC2olAe", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "8113", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "diethanolamine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2’-iminodiethanol" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:broader": { "@id": "csc:CHEMONTID_0001897" }, "dbo:inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2", "dbo:formula": "C4H11NO2", "dbo:smiles": "C(CO)NCCO", "rdfs:seeAlso": { "@id": "compound:8113" } }, { "@id": "csc:YNQLUTRBYVCPMQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7500", "@type": "xsd:int" }, "dbp:inchikey": "YNQLUTRBYVCPMQ-UHFFFAOYSA-N", "dbo:casNumber": [ "100-41-4", "68908-88-3", "70955-17-8", "28213-80-1" ], "dct:isReferencedBy": [ { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_001" } ], "dbo:formula": "C8H10", "dbo:iupacName": { "@language": "en", "@value": "Ethylbenzene" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "ethylbenzeen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3", "dbo:smiles": "CCC1=CC=CC=C1", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "rdfs:seeAlso": { "@id": "compound:7500" }, "skos:exactMatch": { "@id": "wise:CAS_100-41-4" }, "skos:notation": "C2yBen", "skos:broader": { "@id": "csc:CHEMONTID_0002279" } }, { "@id": "csc:ROSDSFDQCJNGOL-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "dimethylamine" }, "rdfs:seeAlso": { "@id": "compound:674" }, "dbo:iupacName": { "@language": "en", "@value": "N-Methylmethanamine" }, "dbp:inchikey": "ROSDSFDQCJNGOL-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_124-40-3" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:notation": "DC1yAe", "skos:broader": { "@id": "csc:CHEMONTID_0002228" }, "skos:altLabel": { "@language": "nl", "@value": "dimethylamine " }, "dbo:formula": "C2H7N", "dbo:inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "674", "@type": "xsd:int" }, "dbo:smiles": "CNC", "dbo:casNumber": "124-40-3" }, { "@id": "csc:WDMKCPIVJOGHBF-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,6,7,8-HEPTACHLORODIBENZOFURAN" }, "dbo:smiles": "C1=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)OC2=C(C(=C1Cl)Cl)Cl", "dbo:casNumber": [ "38998-75-3", "67562-39-4", "67652-39-5" ], "skos:exactMatch": { "@id": "wise:CAS_67562-39-4" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,4,6,7,8-heptachloordibenzofuraan" }, "skos:altLabel": [ { "@language": "nl", "@value": "1,2,3,4,6,7,8-heptachloordibenzofuran" }, { "@language": "nl", "@value": " 1,2,3,4,6,7,8-heptachloordibenzofuraan" }, { "@language": "nl", "@value": "1,2,3,4,6,7,8-heptachloordibenzofuraan (hpcdf)" } ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "PCDF131", "dct:isReferencedBy": { "@id": "co:LUC_VI_002" }, "dbo:pubchem": { "@value": "38199", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:38199" }, "dbo:inchi": "InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II+ bijlagen" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" } ], "dbp:inchikey": "WDMKCPIVJOGHBF-UHFFFAOYSA-N", "dbo:formula": "C12HCl7O", "skos:broader": { "@id": "csc:CHEMONTID_0003029" } }, { "@id": "csc:QSKPIOLLBIHNAC-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-CHLOROACETALDEHYDE" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:altLabel": { "@language": "nl", "@value": "chlooraceetaldehyde " }, "dbo:smiles": "C(C=O)Cl", "dbo:casNumber": "107-20-0", "skos:notation": "ClacAh", "dbo:formula": "C2H3ClO", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "rdfs:seeAlso": { "@id": "compound:33" }, "dbp:inchikey": "QSKPIOLLBIHNAC-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:prefLabel": { "@language": "nl", "@value": "chlooraceetaldehyde" }, "dbo:inchi": "InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2", "dbo:pubchem": { "@value": "33", "@type": "xsd:int" } }, { "@id": "csc:UGFAIRIUMAVXCW-UHFFFAOYSA-N", "dbo:smiles": "[C-]#[O+]", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dct:isReferencedBy": { "@id": "co:LUC_II_001" }, "skos:altLabel": [ { "@language": "nl", "@value": "koolstofmonoxide (CO)" }, { "@language": "nl", "@value": "koolmonoxide" } ], "dbo:casNumber": [ "18421-60-8", "192819-80-0", "167416-30-0", "162342-48-5", "630-08-0", "153929-54-5", "82063-46-5", "155399-52-3" ], "dbo:iupacName": { "@language": "en", "@value": "carbon monoxide" }, "dbo:inchi": "InChI=1S/CO/c1-2", "skos:notation": "CO", "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'CO'" }, { "@language": "nl", "@value": "VLAR II (D2) 'koolmonoxide'" }, { "@language": "nl", "@value": "VLAR bijl. 2.5.3. diverse plaatsen 'koolmonoxide'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'koolstofmonoxide'" } ], "dbp:inchikey": "UGFAIRIUMAVXCW-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "281", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "koolstofmonoxide" }, "dbo:formula": "CO", "rdfs:seeAlso": { "@id": "compound:281" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:VLKZOEOYAKHREP-UHFFFAOYSA-N", "dbo:smiles": "CCCCCC", "rdfs:seeAlso": { "@id": "compound:8058" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "Hexane" }, "dbo:casNumber": [ "68476-44-8", "92112-69-1", "110-54-3", "8031-34-3" ], "dbo:inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3", "dct:isReferencedBy": [ { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_IV_006" } ], "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "dbo:pubchem": { "@value": "8058", "@type": "xsd:int" }, "dbo:formula": "C6H14", "skos:notation": "C6a", "skos:altLabel": { "@language": "nl", "@value": "n-hexaan" }, "skos:prefLabel": { "@language": "nl", "@value": "hexaan" }, "dbp:inchikey": "VLKZOEOYAKHREP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:WYURNTSHIVDZCO-UHFFFAOYSA-N", "dbp:inchikey": "WYURNTSHIVDZCO-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "tetrahydrofuraan" }, "dct:isReferencedBy": [ { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_008" } ], "dbo:pubchem": { "@value": "8028", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": [ "PTMEG", "T4Hfrn" ], "dbo:inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2", "dbo:casNumber": [ "77392-70-2", "24979-97-3", "109-99-9" ], "rdfs:seeAlso": { "@id": "compound:8028" }, "skos:prefLabel": { "@language": "nl", "@value": "polytetramethyletherglycol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Oxolane" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:smiles": "C1CCOC1", "skos:broader": { "@id": "csc:CHEMONTID_0002648" }, "dbo:formula": "C4H8O" }, { "@id": "csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_7440-31-5" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'" }, { "@language": "nl", "@value": "VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Sn'" } ], "rdfs:seeAlso": { "@id": "compound:5352426" }, "skos:notation": "Sn", "dbo:iupacName": { "@language": "en", "@value": "TIN" }, "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "skos:definition": { "@language": "nl", "@value": "tin en tinverbindingen, uitgedrukt als tin (Sn)" }, "dbo:pubchem": { "@value": "5352426", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "tin" }, "dbo:inchi": "InChI=1S/Sn", "dct:isReferencedBy": [ { "@id": "co:LUC_III_010" }, { "@id": "co:LUC_I_002" } ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "[Sn]", "dbp:inchikey": "ATJFFYVFTNAWJD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "Tin (Sn)" }, "dbo:formula": "Sn", "dbo:casNumber": "7440-31-5" }, { "@id": "csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N", "dct:isReferencedBy": [ { "@id": "co:LUC_III_010" }, { "@id": "co:LUC_I_002" } ], "dbo:casNumber": [ "16610-75-6", "7440-48-4" ], "rdfs:seeAlso": { "@id": "compound:104730" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "skos:exactMatch": { "@id": "wise:CAS_7440-48-4" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II D5 'kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Co'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'kobalt en zijn verbindingen, uitgedrukt in Co'" } ], "skos:definition": { "@language": "nl", "@value": "kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)" }, "skos:notation": "Co", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Co", "dbo:pubchem": { "@value": "104730", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Cobalt" }, "skos:prefLabel": { "@language": "nl", "@value": "Kobalt" }, "dbo:smiles": "[Co]", "dbp:inchikey": "GUTLYIVDDKVIGB-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "kobalt" }, { "@language": "nl", "@value": "kobalt (Co)" } ], "dbo:formula": "Co" }, { "@id": "csc:TVMXDCGIABBOFY-UHFFFAOYSA-N", "dbo:smiles": "CCCCCCCC", "skos:notation": "C8a", "dbo:casNumber": [ "111-65-9", "50985-84-7", "31372-91-5" ], "dbp:inchikey": "TVMXDCGIABBOFY-UHFFFAOYSA-N", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'" }, "rdfs:seeAlso": { "@id": "compound:356" }, "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "skos:altLabel": { "@language": "nl", "@value": "n-octaan" }, "dbo:pubchem": { "@value": "356", "@type": "xsd:int" }, "dbo:formula": "C8H18", "dct:isReferencedBy": [ { "@id": "co:WAC_IV_A_016" }, { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_IV_006" }, { "@id": "co:LUC_IV_000" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", "skos:prefLabel": { "@language": "nl", "@value": "octaan" }, "dbo:iupacName": { "@language": "en", "@value": "octane" } }, { "@id": "csc:RFFLAFLAYFXFSW-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C(C(=C1)Cl)Cl", "dbo:casNumber": [ "95-50-1", "25321-22-6", "24634-92-2" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:iupacName": { "@language": "en", "@value": "1,2-Dichlorobenzene" }, "dbo:inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2-dichloorbenzeen" }, "skos:altLabel": { "@language": "nl", "@value": "1,2-dichloorbenzeen " }, "skos:notation": "12DClBen", "skos:exactMatch": { "@id": "wise:CAS_95-50-1" }, "dbo:pubchem": { "@value": "7239", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:7239" }, "dbp:inchikey": "RFFLAFLAYFXFSW-UHFFFAOYSA-N", "dct:isReferencedBy": { "@id": "co:LUC_IV_011" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:formula": "C6H4Cl2" }, { "@id": "csc:ZNQVEEAIQZEUHB-UHFFFAOYSA-N", "dbo:formula": "C4H10O2", "skos:prefLabel": { "@language": "nl", "@value": "2-ethoxyethanol" }, "dct:isReferencedBy": [ { "@id": "co:LUC_IV_003" }, { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_012" } ], "skos:notation": "2C2oxC2ol", "rdfs:seeAlso": { "@id": "compound:8076" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "2-Ethoxyethanol" }, "dbp:inchikey": "ZNQVEEAIQZEUHB-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbo:casNumber": [ "96231-36-6", "110-80-5" ], "dbo:inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3", "dbo:smiles": "CCOCCO", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:pubchem": { "@value": "8076", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:GSWAOPJLTADLTN-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als stikstofdioxide'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.3. 'stikstofoxiden'" }, { "@language": "nl", "@value": " 'NOX als som van stikstofmonoxide (NO) en stikstofdioxide (NO2)'" }, { "@language": "nl", "@value": "VLAR II (D5) 'stikstofoxiden, uitgedrukt in NO2' 'stikstofoxiden (NOx), uitgedrukt als NO2' 'NOx, uitgedrukt als NO2' 'NOx''" }, { "@language": "nl", "@value": "VLAR II (D4) 'stikstofoxiden (uitgedrukt in NO2)'" }, { "@language": "nl", "@value": "VLAR III (D3) 'stikstofmonoxide (NO) en stikstofdioxide (NO2), uitgedrukt in NO2'" }, { "@language": "nl", "@value": "VLAR II (D2) 'stikstofoxiden (NOx)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NOx'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NOx, uitgedrukt als NO2'" } ], "dbp:inchikey": "GSWAOPJLTADLTN-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "160954", "@type": "xsd:int" }, "dbo:smiles": "[NH3+][O-]", "dbo:casNumber": [ "11104-93-1", "11129-69-4" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000554" }, "dct:isReferencedBy": { "@id": "co:LUC_II_001" }, "dbo:iupacName": { "@language": "en", "@value": "oxidoazanium" }, "dbo:inchi": "InChI=1S/H3NO/c1-2/h1H3", "skos:definition": { "@language": "nl", "@value": "stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als NO2(def VLAR II, D1: stikstofoxiden: de som van stikstofmonoxide en stikstofdioxide, uitgedrukt als stikstofdioxide (NO2))" }, "rdfs:seeAlso": { "@id": "compound:160954" }, "skos:altLabel": { "@language": "nl", "@value": "stikstofoxiden (NOx), uitgedrukt als NO2" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "H3NO", "skos:prefLabel": { "@language": "nl", "@value": "stikstofoxiden (nox), uitgedrukt als no2" } }, { "@id": "csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'" }, { "@language": "nl", "@value": "VLAR II (D2) 'cadmium'" }, { "@language": "nl", "@value": "VLAR Bijl. 2.5.2 en bijl. 2.5.8.1. 'cadmium'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'cadmium en zijn verbindingen, uitgedrukt in Cd'" }, { "@language": "nl", "@value": "VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Cd'" }, { "@language": "nl", "@value": "VLAR III (D3) 'cadmium en de verbindingen daarvan, uitgedrukt als cadmium (Cd)" } ], "skos:definition": { "@language": "nl", "@value": "cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)" }, "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" } ], "dbo:iupacName": { "@language": "en", "@value": "cadmium(+2) cation" }, "dbo:casNumber": [ "22537-48-0", "7440-43-9" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "cadmium" }, "dbp:inchikey": "WLZRMCYVCSSEQC-UHFFFAOYSA-N", "dbo:smiles": "[Cd+2]", "rdfs:seeAlso": { "@id": "compound:31193" }, "dbo:inchi": "InChI=1S/Cd/q+2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "31193", "@type": "xsd:int" }, "dbo:formula": "Cd+2", "skos:exactMatch": { "@id": "wise:CAS_7440-43-9" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "skos:notation": "Cd", "skos:altLabel": { "@language": "nl", "@value": "Cadmium (Cd)" } }, { "@id": "csc:CYRMSUTZVYGINF-UHFFFAOYSA-N", "dbo:casNumber": [ "75-69-4", "62185-70-0", "91315-61-6", "83589-40-6", "79620-41-0" ], "dbo:iupacName": { "@language": "en", "@value": "trichloro-fluoromethane" }, "skos:prefLabel": { "@language": "nl", "@value": "trichloorfluormethaan" }, "dbo:formula": "CCl3F", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:altLabel": { "@language": "nl", "@value": "trichloorfluormethaan " }, "rdfs:seeAlso": { "@id": "compound:6389" }, "dbp:inchikey": "CYRMSUTZVYGINF-UHFFFAOYSA-N", "skos:notation": "CFK11", "skos:exactMatch": { "@id": "wise:CAS_75-69-4" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:broader": { "@id": "csc:CHEMONTID_0004521" }, "dbo:pubchem": { "@value": "6389", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/CCl3F/c2-1(3,4)5", "dbo:smiles": "C(F)(Cl)(Cl)Cl" }, { "@id": "csc:BUGBHKTXTAQXES-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Se'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'seleen en zijn verbindingen, uitgedrukt in Se'" }, { "@language": "nl", "@value": "VLAR III (D3) 'seleenverbindingen, uitgedrukt als Se'" } ], "dbo:formula": "Se", "dbo:casNumber": [ "95788-45-7", "12641-96-2", "12733-65-2", "11133-88-3", "51882-60-1", "50954-17-1", "12640-29-8", "7782-49-2", "11125-23-8", "37276-15-6", "37368-02-8", "12640-30-1", "37256-19-2", "37258-85-8", "7783-07-5" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" }, { "@id": "co:WAC_III_B_010" }, { "@id": "co:CMA_2_I_B" }, { "@id": "co:CMA_2_I_B.6" }, { "@id": "co:CMA_2_I_B.1" }, { "@id": "co:WAC_III_B_012" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:definition": { "@language": "nl", "@value": "seleen en seleenverbindingen, uitgedrukt als lood (Pb)" }, "skos:altLabel": { "@language": "nl", "@value": "Seleen (Se)" }, "dbo:pubchem": { "@value": "6326970", "@type": "xsd:int" }, "dbo:smiles": "[Se]", "skos:notation": "Se", "skos:prefLabel": { "@language": "nl", "@value": "seleen" }, "dbo:iupacName": { "@language": "en", "@value": "Selenium" }, "skos:exactMatch": { "@id": "wise:CAS_7782-49-2" }, "dbp:inchikey": "BUGBHKTXTAQXES-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "dbo:inchi": "InChI=1S/Se", "rdfs:seeAlso": { "@id": "compound:6326970" } }, { "@id": "csc:ULYZAYCEDJDHCC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dct:isReferencedBy": [ { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_IV_002" }, { "@id": "co:LUC_IV_000" } ], "dbp:inchikey": "ULYZAYCEDJDHCC-UHFFFAOYSA-N", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:iupacName": { "@language": "en", "@value": "2-CHLOROPROPANE" }, "dbo:smiles": "CC(C)Cl", "dbo:pubchem": { "@value": "6361", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:6361" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbo:casNumber": "75-29-6", "skos:prefLabel": { "@language": "nl", "@value": "2-chloorpropaan" }, "skos:notation": "2ClC3a", "dbo:formula": "C3H7Cl", "dbo:inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" }, { "@id": "csc:KXKVLQRXCPHEJC-UHFFFAOYSA-N", "skos:notation": "C1yactt", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "methylacetaat" }, "dbo:iupacName": { "@language": "en", "@value": "METHYL ACETATE" }, "rdfs:seeAlso": { "@id": "compound:6584" }, "dbo:formula": "C3H6O2", "dbo:pubchem": { "@value": "6584", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003416" }, "dct:isReferencedBy": [ { "@id": "co:LUC_IV_004" }, { "@id": "co:LUC_IV_000" } ], "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:casNumber": "79-20-9", "dbp:inchikey": "KXKVLQRXCPHEJC-UHFFFAOYSA-N", "dbo:smiles": "CC(=O)OC", "dbo:inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:HGUFODBRKLSHSI-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzodioxine" }, { "@language": "nl", "@value": " 2,3,7,8-tetrachloordibenzodioxine" }, { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzodioxine (tcdd)" } ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II+ bijlagen" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" } ], "dbo:smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl", "dct:isReferencedBy": { "@id": "co:LUC_VI_002" }, "dbo:inchi": "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H", "skos:prefLabel": { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzo-p-dioxine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000420" }, "dbo:pubchem": { "@value": "15625", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "C12H4Cl4O2", "dbo:casNumber": [ "56795-67-6", "1746-01-6" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_1746-01-6" }, "rdfs:seeAlso": { "@id": "compound:15625" }, "skos:notation": "PCDD48", "dbo:iupacName": { "@language": "en", "@value": "2,3,7,8-tetrachlorooxanthrene" }, "dbp:inchikey": "HGUFODBRKLSHSI-UHFFFAOYSA-N" }, { "@id": "csc:WSLDOOZREJYCGB-UHFFFAOYSA-N", "dct:isReferencedBy": [ { "@id": "co:LUC_IV_011" }, { "@id": "co:LUC_IV_000" }, { "@id": "co:LUC_IV_002" } ], "dbo:formula": "C2H4Cl2", "dbo:inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, { "@language": "nl", "@value": "VLAR III (D3)" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.1.4/Art. 5.7.7.1" } ], "dbo:casNumber": [ "107-06-2", "52399-93-6", "7572-29-4" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "WSLDOOZREJYCGB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "['1,2-dichloroethane', '1,2-dichloroethyne']" }, "skos:altLabel": { "@language": "nl", "@value": "1,2-dichloorethaan (edc)" }, "dbo:pubchem": { "@value": "11", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2-dichloorethaan" }, "dbo:smiles": "C(CCl)Cl", "skos:exactMatch": { "@id": "wise:CAS_107-06-2" }, "rdfs:seeAlso": { "@id": "compound:11" }, "skos:notation": "12DClC2a" }, { "@id": "csc:LHRCREOYAASXPZ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "dbo:casNumber": [ "56-56-4", "53-70-3" ], "dbo:formula": "C22H14", "rdfs:seeAlso": { "@id": "compound:5889" }, "dbo:iupacName": { "@language": "en", "@value": "naphtho[1,2-b]phenanthrene" }, "skos:prefLabel": { "@language": "nl", "@value": "dibenzo(a,h)anthraceen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "LHRCREOYAASXPZ-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "dibenzo(a,h)an-traceen" }, { "@language": "nl", "@value": "dibenzo(a,h)antraceen" } ], "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32", "dbo:inchi": "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H", "skos:notation": "DBahAnt", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II (D2)" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" } ], "dbo:pubchem": { "@value": "5889", "@type": "xsd:int" }, "dct:isReferencedBy": { "@id": "co:LUC_VI_001" }, "skos:exactMatch": { "@id": "wise:CAS_53-70-3" } }, { "@id": "csc:DXBHBZVCASKNBY-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_56-55-3" }, "dbo:casNumber": "56-55-3", "dct:isReferencedBy": { "@id": "co:LUC_VI_001" }, "dbo:inchi": "InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H", "dbo:pubchem": { "@value": "5954", "@type": "xsd:int" }, "dbo:formula": "C18H12", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32", "dbo:iupacName": { "@language": "en", "@value": "Benzo[a]anthracene" }, "skos:altLabel": [ { "@language": "nl", "@value": "benz(a)anthraceen" }, { "@language": "nl", "@value": "benzo(a)antra-ceen" }, { "@language": "nl", "@value": "benzo(a)antraceen" } ], "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, 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"InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3", "skos:broader": { "@id": "csc:CHEMONTID_0000324" }, "dbo:casNumber": "110-36-1", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "butyltetradecanoaat" }, "rdfs:seeAlso": { "@id": "compound:8047" }, "dbp:inchikey": "DHAZIUXMHRHVMP-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Butyl tetradecanoate" }, "dbo:formula": "C18H36O2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "8047", "@type": "xsd:int" }, "skos:notation": "C4yC14aoat", "dbo:smiles": "CCCCCCCCCCCCCC(=O)OCCCC" }, { "@id": "csc:JKWMSGQKBLHBQQ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/B2O3/c3-1-5-2-4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000534" }, "dbo:iupacName": { "@language": "en", "@value": "oxo-oxoboranyloxyborane" }, "skos:notation": "B2O3", "dbo:pubchem": { "@value": "518682", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "diboortrioxide" }, "dbo:formula": "B2O3", "rdfs:seeAlso": { "@id": "compound:518682" }, "dbo:smiles": "B(=O)OB=O", "dbp:inchikey": "JKWMSGQKBLHBQQ-UHFFFAOYSA-N", "dbo:casNumber": "1303-86-2" }, { "@id": "csc:CPLXHLVBOLITMK-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "magnesiumoxide" }, "dbo:formula": "MgO", "dbo:casNumber": [ "187036-80-2", "82375-77-7", "185461-91-0", "1309-48-4", "13589-16-7", "52933-73-0" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "O=[Mg]", "rdfs:seeAlso": { "@id": "compound:14792" }, "skos:notation": "MgO", "dbp:inchikey": "CPLXHLVBOLITMK-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/Mg.O", "skos:broader": { "@id": "csc:CHEMONTID_0000546" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "14792", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "oxomagnesium" } }, { "@id": "csc:ZXNWYMNKYXUZGM-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "94452", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "ZXNWYMNKYXUZGM-UHFFFAOYSA-N", "skos:notation": "TactnAe", "dbo:iupacName": { "@language": "en", "@value": "2,2,6,6-Tetramethylpiperidin-4-one hydrochloride" }, "skos:broader": { "@id": "csc:CHEMONTID_0001581" }, "dbo:casNumber": [ "33973-59-0", "826-36-8" ], "dbo:smiles": "CC1(CC(=O)CC(N1)(C)C)C.Cl", "dbo:inchi": "InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C9H18ClNO", "rdfs:seeAlso": { "@id": "compound:94452" }, "skos:prefLabel": { "@language": "nl", "@value": "triacetonamine" } }, { "@id": "csc:IRMGVPILCPGYNQ-UHFFFAOYSA-M", "dbo:pubchem": { "@value": "3017829", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "dimethyl-di(tetradecyl)azanium bromide" }, "dbo:inchi": "InChI=1S/C30H64N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1", "dbp:inchikey": "IRMGVPILCPGYNQ-UHFFFAOYSA-M", "dbo:casNumber": "68105-02-2", "rdfs:seeAlso": { "@id": "compound:3017829" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "C30H64BrN", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "dimethylditetradecylammonium bromide" }, "skos:notation": "DC1yDC14yNH4", "dbo:smiles": "CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-]", "skos:broader": { "@id": "csc:CHEMONTID_0004225" } }, { "@id": "csc:PWPJGUXAGUPAHP-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide" }, "rdfs:seeAlso": { "@id": "compound:71777" }, "dbp:inchikey": 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"@language": "nl", "@value": "microcystine-lr" }, "dbo:pubchem": { "@value": "445434", "@type": "xsd:int" }, "skos:notation": "MC-LR", "skos:altLabel": { "@language": "nl", "@value": "microcystine-LR" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "ZYZCGGRZINLQBL-GWRQVWKTSA-N", "dbo:casNumber": "101043-37-2", "skos:broader": { "@id": "csc:CHEMONTID_0002010" }, "dbo:inchi": "InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1", "rdfs:seeAlso": { "@id": "compound:445434" }, "dbo:iupacName": { "@language": "en", "@value": "(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid" } }, { "@id": "csc:HUTDUHSNJYTCAR-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "25572", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "HUTDUHSNJYTCAR-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:25572" }, "dbo:inchi": "InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "ancymidol" }, "dbo:casNumber": [ "51025-96-8", "33712-16-2", "50642-61-0", "12771-68-5" ], "skos:broader": { "@id": "csc:CHEMONTID_0000138" }, "dbo:smiles": "COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O", "dbo:formula": "C15H16N2O2", "skos:notation": "ancmdl", "dbo:iupacName": { "@language": "en", "@value": "cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol" } }, { "@id": "csc:XMAYWYJOQHXEEK-ZEQKJWHPSA-N", "dbo:inchi": "InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1", "dbo:formula": "C26H28Cl2N4O4", "dbo:pubchem": { "@value": "47576", "@type": "xsd:int" }, "dbo:casNumber": "65277-42-1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone" }, "skos:prefLabel": { "@language": "nl", "@value": "ketoconazol" }, "skos:broader": { "@id": 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"dbo:casNumber": "58-32-2", "skos:prefLabel": { "@language": "nl", "@value": "dipyridamol" }, "skos:altLabel": { "@language": "nl", "@value": "dipyramidol" }, "dbp:inchikey": "IZEKFCXSFNUWAM-UHFFFAOYSA-N", "skos:notation": "Dpyrdml", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:broader": { "@id": "csc:CHEMONTID_0003901" }, "rdfs:seeAlso": { "@id": "compound:3108" } }, { "@id": "csc:CPELXLSAUQHCOX-UHFFFAOYSA-M", "skos:exactMatch": { "@id": "wise:CAS_24959-67-9" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000548" }, "skos:altLabel": { "@language": "nl", "@value": "bromide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:259" }, "dbo:casNumber": [ "24959-67-9", "7726-95-6" ], "skos:prefLabel": { 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"csc:DUEPRVBVGDRKAG-UHFFFAOYSA-N", "dbo:formula": "C12H15NO3", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": "1563-66-2", "rdfs:seeAlso": { "@id": "compound:2566" }, "skos:broader": { "@id": "csc:CHEMONTID_0004189" }, "skos:prefLabel": { "@language": "nl", "@value": "carbofuran" }, "dbp:inchikey": "DUEPRVBVGDRKAG-UHFFFAOYSA-N", "dbo:smiles": "CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C", "dbo:iupacName": { "@language": "en", "@value": "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" }, "skos:notation": "carbfrn", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "2566", "@type": "xsd:int" }, "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)" }, { "@id": "csc:OJOWICOBYCXEKR-KRXBUXKQSA-N", "skos:notation": "5C2yid2nbnn", "skos:broader": { "@id": "csc:CHEMONTID_0004622" }, "skos:prefLabel": { "@language": "nl", "@value": "5-ethylideen-2-norborneen" }, 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"csc:CIOAGBVUUVVLOB-OIOBTWANSA-N", "dbo:iupacName": { "@language": "en", "@value": "strontium-85" }, "dbo:casNumber": "13967-73-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Sr", "dbo:inchi": "InChI=1S/Sr/i1-3", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "Sr85", "skos:broader": { "@id": "csc:CHEMONTID_0000428" }, "dbo:pubchem": { "@value": "5464271", "@type": "xsd:int" }, "dbo:smiles": "[Sr]", "dbp:inchikey": "CIOAGBVUUVVLOB-OIOBTWANSA-N", "skos:prefLabel": { "@language": "nl", "@value": "strontium 85" }, "rdfs:seeAlso": { "@id": "compound:5464271" } }, { "@id": "csc:HWCKGOZZJDHMNC-UHFFFAOYSA-M", "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "dbo:smiles": "CC[N+](CC)(CC)CC.[Br-]", "dbo:inchi": "InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1", "dbo:formula": "C8H20BrN", "dbp:inchikey": "HWCKGOZZJDHMNC-UHFFFAOYSA-M", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", 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"dbp:inchikey": "IUYHQGMDSZOPDZ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:41541" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-trichloro-4-phenylbenzene" }, "dbo:pubchem": { "@value": "41541", "@type": "xsd:int" }, "dbo:formula": "C12H7Cl3", "dbo:smiles": "C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl", "dbo:casNumber": [ "25323-68-6", "55702-46-0" ], "skos:notation": "PCB21", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,4-trichloorbifenyl" } }, { "@id": "csc:CYRHBNRLQMLULE-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "nonabroomdifenylether" }, "dbo:casNumber": [ "139749-52-3", "66169-95-7", "63936-56-1", "68928-79-0", "64589-00-0" ], "skos:broader": { "@id": "csc:CHEMONTID_0001845" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", 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"csc:BDCFWIDZNLCTMF-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "skos:prefLabel": { "@language": "nl", "@value": "2-fenylisopropanol" }, "rdfs:seeAlso": { "@id": "compound:12053" }, "dbp:inchikey": "BDCFWIDZNLCTMF-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "12053", "@type": "xsd:int" }, "skos:notation": "2FyiC3ol", "dbo:iupacName": { "@language": "en", "@value": "2-Phenylpropan-2-ol" }, "dbo:casNumber": "617-94-7", "dbo:smiles": "CC(C)(C1=CC=CC=C1)O", "dbo:inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C9H12O" }, { "@id": "csc:CNQCVBJFEGMYDW-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "lawrencium" }, "dbp:inchikey": "CNQCVBJFEGMYDW-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:31192" }, "dbo:smiles": 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"(E)-2-ethyl-4-(2,2,3-trimethyl-1-cyclopent-3-enyl)but-2-en-1-ol" }, "skos:prefLabel": { "@language": "nl", "@value": "sandacanol" }, "dbo:pubchem": { "@value": "6438196", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001563" }, "skos:notation": "ETCB", "dbp:inchikey": "KHQDWCKZXLWDNM-KPKJPENVSA-N", "dbo:casNumber": "28219-61-6", "dbo:inchi": "InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+", "dbo:formula": "C14H24O" }, { "@id": "csc:ZSLUVFAKFWKJRC-AHCXROLUSA-N", "skos:notation": "Th228", "rdfs:seeAlso": { "@id": "compound:61724" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "61724", "@type": "xsd:int" }, "dbo:formula": "Th", "dbp:inchikey": "ZSLUVFAKFWKJRC-AHCXROLUSA-N", "skos:prefLabel": { "@language": "nl", "@value": "thorium 228" }, "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "dbo:iupacName": { "@language": "en", "@value": "thorium-228" }, "dbo:smiles": "[Th]", "dbo:casNumber": "14274-82-9", "dbo:inchi": "InChI=1S/Th/i1-4" }, { "@id": "csc:PORWMNRCUJJQNO-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6327182", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "tellurium" }, "dbo:casNumber": [ "137322-20-4", "13494-80-9" ], "dbo:formula": "Te", "skos:broader": { "@id": "csc:CHEMONTID_0000431" }, "skos:notation": "Te", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "PORWMNRCUJJQNO-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6327182" }, "dbo:iupacName": { "@language": "en", "@value": "TELLURIUM" }, "dbo:smiles": "[Te]", "dbo:inchi": "InChI=1S/Te", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:WURBVZBTWMNKQT-UHFFFAOYSA-N", "dbo:smiles": "CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl", "dbo:iupacName": { "@language": "en", "@value": 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"2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetic acid" }, "dbo:casNumber": "39492-90-5", "rdfs:seeAlso": { "@id": "compound:57358057" }, "dbo:smiles": "C(=O)(C(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)O", "skos:notation": "PFO4DA", "skos:broader": { "@id": "csc:CHEMONTID_0003000" } }, { "@id": "csc:GKOZUEZYRPOHIO-IGMARMGPSA-N", "skos:prefLabel": { "@language": "nl", "@value": "iridium 192" }, "dbo:pubchem": { "@value": "66373", "@type": "xsd:int" }, "skos:notation": "Ir192", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Ir", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbp:inchikey": "GKOZUEZYRPOHIO-IGMARMGPSA-N", "dbo:inchi": "InChI=1S/Ir/i1+0", "rdfs:seeAlso": { "@id": "compound:66373" }, "dbo:casNumber": "14694-69-0", "dbo:iupacName": { "@language": "en", "@value": "iridium-192" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "[Ir]" }, { "@id": "csc:AUODDLQVRAJAJM-GQYOKNPUSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002205" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "441204", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12?,13+,14-,15-,16-,18-;/m1./s1", "dbo:iupacName": { "@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" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.Cl", "dbp:inchikey": "AUODDLQVRAJAJM-GQYOKNPUSA-N", "rdfs:seeAlso": { "@id": "compound:441204" }, "dbo:formula": "C18H34Cl2N2O5S", "dbo:casNumber": "21462-39-5", "skos:prefLabel": { "@language": "nl", "@value": "clindamycine, waterstofchloride" } }, { "@id": "csc:UQMRAFJOBWOFNS-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000417" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "7206", "@type": "xsd:int" }, "dbo:casNumber": "94-80-4", "dbo:iupacName": { "@language": "en", "@value": "butyl 2-(2,4-dichlorophenoxy)acetate" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4-d butyl ester" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "2,4-D butyl ester" }, "dbp:inchikey": "UQMRAFJOBWOFNS-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7206" }, "dbo:inchi": "InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3", "dbo:smiles": "CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl", "dbo:formula": "C12H14Cl2O3", "skos:notation": "24DC4yEsr" }, { "@id": "csc:PYZRQGJRPPTADH-UHFFFAOYSA-N", "skos:notation": "lamtgne", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], 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}, "dbo:iupacName": { "@language": "en", "@value": "4-Methyl-2-nitrophenol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3", "dbo:formula": "C7H7NO3", "skos:prefLabel": { "@language": "nl", "@value": "2-nitro-p-cresol" }, "dbp:inchikey": "SYDNSSSQVSOXTN-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC(=C(C=C1)O)[N+](=O)[O-]" }, { "@id": "csc:HHEFNVCDPLQQTP-UHFFFAOYSA-N", "dbp:inchikey": "HHEFNVCDPLQQTP-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001065" }, "dbo:casNumber": [ "28499-39-0", "7790-98-9", "222532-79-8", "19166-97-3", "87110-01-8", "13777-04-3", "53026-82-7" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "ClH4NO4", "skos:prefLabel": { "@language": "nl", "@value": "ammoniumperchloraat" }, "dbo:smiles": "[NH4+].[O-]Cl(=O)(=O)=O", "dbo:pubchem": { "@value": "24639", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3", "dbo:iupacName": { "@language": "en", "@value": "azanium perchlorate" }, "rdfs:seeAlso": { "@id": "compound:24639" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "NH4ClO4" }, { "@id": "csc:QYIXCDOBOSTCEI-NWKZBHTNSA-N", "dbo:pubchem": { "@value": "221122", "@type": "xsd:int" }, "dbo:casNumber": "360-68-9", "skos:broader": { "@id": "csc:CHEMONTID_0001469" }, "dbo:inchi": "InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "dbo:formula": "C27H48O", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol" }, "dbo:smiles": "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, 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[ "8063-42-1", "50-23-7", "80562-38-5", "8056-08-4" ], "skos:notation": "Hcortsn", "skos:broader": { "@id": "csc:CHEMONTID_0003095" }, "skos:prefLabel": { "@language": "nl", "@value": "hydrocortison" }, "rdfs:seeAlso": { "@id": "compound:5754" }, "dbo:pubchem": { "@value": "5754", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:CXWXQJXEFPUFDZ-UHFFFAOYSA-N", "dbo:casNumber": [ "68412-24-8", "119-64-2" ], "skos:notation": "1234T4HNaf", "dbo:pubchem": { "@value": "8404", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2", "dbp:inchikey": "CXWXQJXEFPUFDZ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4-Tetrahydronaphthalene" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:8404" }, "dbo:smiles": "C1CCC2=CC=CC=C2C1", "skos:broader": { "@id": "csc:CHEMONTID_0000048" }, "dbo:formula": "C10H12", "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,4-tetrahydronaftaleen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:AFTSHZRGGNMLHC-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "HCFK123b", "dbp:inchikey": "AFTSHZRGGNMLHC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "13132", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "1,1-dichloor-1,2,2-trifluorethaan" }, "dbo:iupacName": { "@language": "en", "@value": "1,1-Dichloro-1,2,2-trifluoroethane" }, "dbo:inchi": "InChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H", "dbo:formula": "C2HCl2F3", "rdfs:seeAlso": { "@id": "compound:13132" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbo:casNumber": "812-04-4", "dbo:smiles": "C(C(F)(Cl)Cl)(F)F" }, { "@id": "csc:AXISYYRBXTVTFY-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": 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3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" }, "skos:notation": "fenftn", "dbp:inchikey": "YATDSXRLIUJOQN-UHFFFAOYSA-N", "dbo:smiles": "CC1(C(C1C(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F)C=C(Cl)Cl)C" }, { "@id": "csc:JGFYQVQAXANWJU-UHFFFAOYSA-M", "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "dbo:casNumber": "62-74-8", "dbo:pubchem": { "@value": "6123", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:6123" }, "dbo:smiles": "C(C(=O)[O-])F.[Na+]", "dbo:iupacName": { "@language": "en", "@value": "sodium 2-fluoroacetate" }, "dbp:inchikey": "JGFYQVQAXANWJU-UHFFFAOYSA-M", "dbo:inchi": "InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1", "dbo:formula": "C2H2FNaO2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "natriumfluoracetaat" }, "skos:notation": "NaFactt" }, { "@id": "csc:TZMHVHLTPWKZCI-UHFFFAOYSA-N", "dbo:formula": "C12H3Cl7", 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"dbo:inchi": "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3", "dbp:inchikey": "ZLCSFXXPPANWQY-UHFFFAOYSA-N", "dbo:smiles": "CCC1=CC=CC(=C1)C", "dbo:pubchem": { "@value": "12100", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "3C2yTol", "skos:prefLabel": { "@language": "nl", "@value": "3-ethyltolueen" }, "dbo:formula": "C9H12", "dbo:casNumber": "620-14-4", "skos:broader": { "@id": "csc:CHEMONTID_0001091" } }, { "@id": "csc:QQVHEQUEHCEAKS-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:19283" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "diundecyl benzene-1,2-dicarboxylate" }, "skos:altLabel": [ { "@language": "nl", "@value": "diundecylftalaat" }, { "@language": "nl", "@value": "di-n-undecylftalaat" } ], "dbo:smiles": "CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": [ "DC11yFtvteln", 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