[(1S,5S)-2,4,4-trimethyl-3-(2-oxidanylideneethyl)-5-prop-1-en-2-yl-cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1S,5S)-2,4,4-trimethyl-3-(2-oxidanylideneethyl)-5-prop-1-en-2-yl-cyclohex-2-en-1-yl] benzoate Openeye Name: [(1S,5S)-5-isopropenyl-2,4,4-trimethyl-3-(2-oxoethyl)cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1S,5S)-2,4,4-trimethyl-5-(1-methylethenyl)-3-(2-oxoethyl)-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,5S)-2,4,4-trimethyl-3-(2-oxoethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,5S)-5-isopropenyl-3-(2-ketoethyl)-2,4,4-trimethyl-cyclohex-2-en-1-yl] ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1OC(=O)C2=CC=CC=C2)C(=C)C)(C)C)CC=O

Isomeric SMILES

CC1=C(C([C@@H](C[C@@H]1OC(=O)C2=CC=CC=C2)C(=C)C)(C)C)CC=O

InChI

InChI=1S/C21H26O3/c1-14(2)18-13-19(15(3)17(11-12-22)21(18,4)5)24-20(23)16-9-7-6-8-10-16/h6-10,12,18-19H,1,11,13H2,2-5H3/t18-,19-/m0/s1