[(3R)-3-[(1S,4S)-4-ethenyl-1,4-dimethyl-2-oxidanylidene-cyclohexyl]butyl] benzoate

Systemtic Name: [(3R)-3-[(1S,4S)-4-ethenyl-1,4-dimethyl-2-oxidanylidene-cyclohexyl]butyl] benzoate Openeye Name: [(3R)-3-[(1S,4S)-1,4-dimethyl-2-oxo-4-vinyl-cyclohexyl]butyl] benzoate CAS Name: benzoic acid [(3R)-3-[(1S,4S)-4-ethenyl-1,4-dimethyl-2-oxocyclohexyl]butyl] ester IUPAC Name: [(3R)-3-[(1S,4S)-4-ethenyl-1,4-dimethyl-2-oxocyclohexyl]butyl] benzoate Traditional Name: benzoic acid [(3R)-3-[(1S,4S)-2-keto-1,4-dimethyl-4-vinyl-cyclohexyl]butyl] ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C1=CC=CC=C1)C2(CCC(CC2=O)(C)C=C)C

Isomeric SMILES

C[C@H](CCOC(=O)C1=CC=CC=C1)[C@@]2(CC[C@](CC2=O)(C)C=C)C

InChI

InChI=1S/C21H28O3/c1-5-20(3)12-13-21(4,18(22)15-20)16(2)11-14-24-19(23)17-9-7-6-8-10-17/h5-10,16H,1,11-15H2,2-4H3/t16-,20+,21+/m1/s1