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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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"perfluoroctaansulfonaat, kaliumzout" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003960" }, "dbo:inchi": "InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1", "skos:notation": "PFOS_K", "dbo:smiles": "C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[K+]", "dbo:iupacName": { "@language": "en", "@value": "potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate" } }, { "@id": "csc:RULKYXXCCZZKDZ-UHFFFAOYSA-N", "dbp:inchikey": "RULKYXXCCZZKDZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O", "skos:exactMatch": { "@id": "wise:CAS_4901-51-3" }, "dbo:casNumber": [ "4901-51-3", "25167-83-3" ], "skos:broader": { "@id": "csc:CHEMONTID_0002772" }, "dbo:pubchem": { "@value": "21013", "@type": "xsd:int" }, "dbo:inchi": 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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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"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",