2-(6-chloranyl-3-methyl-4-phenyl-cyclohexa-1,5-dien-1-yl)-3-oxidanyl-3a,4,5,6,7,7a-hexahydroinden-1-one

Systemtic Name: 2-(6-chloranyl-3-methyl-4-phenyl-cyclohexa-1,5-dien-1-yl)-3-oxidanyl-3a,4,5,6,7,7a-hexahydroinden-1-one Openeye Name: 2-(6-chloro-3-methyl-4-phenyl-cyclohexa-1,5-dien-1-yl)-3-hydroxy-3a,4,5,6,7,7a-hexahydroinden-1-one CAS Name: 2-(6-chloro-3-methyl-4-phenyl-1-cyclohexa-1,5-dienyl)-3-hydroxy-3a,4,5,6,7,7a-hexahydroinden-1-one IUPAC Name: 2-(6-chloro-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-3-hydroxy-3a,4,5,6,7,7a-hexahydroinden-1-one Traditional Name: 2-(6-chloro-3-methyl-4-phenyl-cyclohexa-1,5-dien-1-yl)-3-hydroxy-3a,4,5,6,7,7a-hexahydroinden-1-one Formula: C22H23ClO2 MolecularWeight: 354.86982

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(=CC1C2=CC=CC=C2)Cl)C3=C(C4CCCCC4C3=O)O

Isomeric SMILES

CC1C=C(C(=CC1C2=CC=CC=C2)Cl)C3=C(C4CCCCC4C3=O)O

InChI

InChI=1S/C22H23ClO2/c1-13-11-18(19(23)12-17(13)14-7-3-2-4-8-14)20-21(24)15-9-5-6-10-16(15)22(20)25/h2-4,7-8,11-13,15-17,24H,5-6,9-10H2,1H3