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

Systemtic Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] benzoate Openeye Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] benzoate CAS Name: benzoic acid [2-(2-chlorophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] benzoate Traditional Name: benzoic acid [2-(2-chlorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C21H19ClO3 MolecularWeight: 354.82676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClO3/c1-21(2)12-17(23)19(15-10-6-7-11-16(15)22)18(13-21)25-20(24)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3