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

Systemtic Name: [2-[5-(4-chlorophenyl)-2,4-dimethyl-phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 3-methylbutanoate Openeye Name: [2-[5-(4-chlorophenyl)-2,4-dimethyl-phenyl]-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-[5-(4-chlorophenyl)-2,4-dimethylphenyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-[5-(4-chlorophenyl)-2,4-dimethylphenyl]-5,5-dimethyl-3-oxocyclohexen-1-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-[5-(4-chlorophenyl)-2,4-dimethyl-phenyl]-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=C1C2=CC=C(C=C2)Cl)C3=C(CC(CC3=O)(C)C)OC(=O)CC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=C(C=C2)Cl)C3=C(CC(CC3=O)(C)C)OC(=O)CC(C)C)C

InChI

InChI=1S/C27H31ClO3/c1-16(2)11-25(30)31-24-15-27(5,6)14-23(29)26(24)22-13-21(17(3)12-18(22)4)19-7-9-20(28)10-8-19/h7-10,12-13,16H,11,14-15H2,1-6H3