[(E)-6-(2,2-dimethyl-6-methylidene-cyclohexyl)-4-methyl-2-oxidanylidene-hex-3-enyl] benzoate

Systemtic Name: [(E)-6-(2,2-dimethyl-6-methylidene-cyclohexyl)-4-methyl-2-oxidanylidene-hex-3-enyl] benzoate Openeye Name: [(E)-6-(2,2-dimethyl-6-methylene-cyclohexyl)-4-methyl-2-oxo-hex-3-enyl] benzoate CAS Name: benzoic acid [(E)-6-(2,2-dimethyl-6-methylenecyclohexyl)-4-methyl-2-oxohex-3-enyl] ester IUPAC Name: [(E)-6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methyl-2-oxohex-3-enyl] benzoate Traditional Name: benzoic acid [(E)-6-(2,2-dimethyl-6-methylene-cyclohexyl)-2-keto-4-methyl-hex-3-enyl] ester Formula: C23H30O3 MolecularWeight: 354.4825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)COC(=O)C1=CC=CC=C1)CCC2C(=C)CCCC2(C)C

Isomeric SMILES

C/C(=C\C(=O)COC(=O)C1=CC=CC=C1)/CCC2C(=C)CCCC2(C)C

InChI

InChI=1S/C23H30O3/c1-17(12-13-21-18(2)9-8-14-23(21,3)4)15-20(24)16-26-22(25)19-10-6-5-7-11-19/h5-7,10-11,15,21H,2,8-9,12-14,16H2,1,3-4H3/b17-15+