[2-(2,4-dimethylphenyl)-4,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-chloranylbenzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-4,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-chloranylbenzoate Openeye Name: [2-(2,4-dimethylphenyl)-4,5-dimethyl-3-oxo-cyclohexen-1-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-(2,4-dimethylphenyl)-4,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-4,5-dimethyl-3-oxocyclohexen-1-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-(2,4-dimethylphenyl)-3-keto-4,5-dimethyl-cyclohexen-1-yl] ester Formula: C23H23ClO3 MolecularWeight: 382.87992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C(C(=O)C1C)C2=C(C=C(C=C2)C)C)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CC(=C(C(=O)C1C)C2=C(C=C(C=C2)C)C)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H23ClO3/c1-13-5-10-19(15(3)11-13)21-20(12-14(2)16(4)22(21)25)27-23(26)17-6-8-18(24)9-7-17/h5-11,14,16H,12H2,1-4H3