[2-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-6,6-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 3-methylbutanoate

Systemtic Name: [2-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-6,6-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 3-methylbutanoate Openeye Name: [2-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-6,6-dimethyl-3-oxo-cyclohexen-1-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-6,6-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-6,6-dimethyl-3-oxocyclohexen-1-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-3-keto-6,6-dimethyl-cyclohexen-1-yl] ester Formula: C27H31ClO3 MolecularWeight: 438.98624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=C(C(CCC2=O)(C)C)OC(=O)CC(C)C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC(=C1C2=C(C(CCC2=O)(C)C)OC(=O)CC(C)C)C)C3=CC=C(C=C3)Cl

InChI

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