[2-(4-chlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2,2-dimethyloctanoate

Systemtic Name: [2-(4-chlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2,2-dimethyloctanoate Openeye Name: [2-(4-chlorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 2,2-dimethyloctanoate CAS Name: 2,2-dimethyloctanoic acid [2-(4-chlorophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(4-chlorophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 2,2-dimethyloctanoate Traditional Name: 2,2-dimethylcaprylic acid [2-(4-chlorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C24H33ClO3 MolecularWeight: 404.97002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCC(C)(C)C(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C24H33ClO3/c1-6-7-8-9-14-24(4,5)22(27)28-20-16-23(2,3)15-19(26)21(20)17-10-12-18(25)13-11-17/h10-13H,6-9,14-16H2,1-5H3