[(Z)-1-methoxy-1-oxidanylidene-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-3-yl] benzoate

Systemtic Name: [(Z)-1-methoxy-1-oxidanylidene-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-3-yl] benzoate Openeye Name: [(Z)-3-methoxy-3-oxo-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]prop-1-enyl] benzoate CAS Name: benzoic acid [(Z)-1-methoxy-1-oxo-5-(2,6,6-trimethyl-1-cyclohexenyl)pent-2-en-3-yl] ester IUPAC Name: [(Z)-1-methoxy-1-oxo-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-3-yl] benzoate Traditional Name: benzoic acid [(Z)-3-keto-3-methoxy-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]prop-1-enyl] ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CCC(=CC(=O)OC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CC/C(=C/C(=O)OC)/OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28O4/c1-16-9-8-14-22(2,3)19(16)13-12-18(15-20(23)25-4)26-21(24)17-10-6-5-7-11-17/h5-7,10-11,15H,8-9,12-14H2,1-4H3/b18-15-