CHEBI:82099 - Isobenzan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isobenzan
ChEBI ID CHEBI:82099
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H4Cl8O
Net Charge 0
Average Mass 411.75100
Monoisotopic Mass 407.777
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