[2-(2-chlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 7-phenylheptanoate

Systemtic Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 7-phenylheptanoate Openeye Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 7-phenylheptanoate CAS Name: 7-phenylheptanoic acid [2-(2-chlorophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 7-phenylheptanoate Traditional Name: 7-phenylenanthic acid [2-(2-chlorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C27H31ClO3 MolecularWeight: 438.98624

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2=CC=CC=C2Cl)OC(=O)CCCCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C2=CC=CC=C2Cl)OC(=O)CCCCCCC3=CC=CC=C3)C

InChI

InChI=1S/C27H31ClO3/c1-27(2)18-23(29)26(21-15-10-11-16-22(21)28)24(19-27)31-25(30)17-9-4-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-16H,3-4,6,9,12,17-19H2,1-2H3