CHEBI:82099 - Isobenzan

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ChEBI Name Isobenzan ChEBI ID CHEBI:82099 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H4Cl8O Net Charge 0 Average Mass 411.75100 Monoisotopic Mass 407.77704 InChI InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H InChIKey LRWHHSXTGZSMSN-UHFFFAOYSA-N SMILES ClC1OC(Cl)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl ChEBI Ontology Outgoing Isobenzan (CHEBI:82099) is a oxolanes (CHEBI:26912) Synonym Source Telodrin KEGG COMPOUND Manual Xrefs Databases 1277 PPDB C18960 KEGG COMPOUND View more database links Registry Number Type Source 297-78-9 CAS Registry Number KEGG COMPOUND