[(E,1S)-5-methyl-1-[(1R)-4-methyl-2-oxidanylidene-cyclohex-3-en-1-yl]hex-2-enyl] benzoate

Systemtic Name: [(E,1S)-5-methyl-1-[(1R)-4-methyl-2-oxidanylidene-cyclohex-3-en-1-yl]hex-2-enyl] benzoate Openeye Name: [(E,1S)-5-methyl-1-[(1R)-4-methyl-2-oxo-cyclohex-3-en-1-yl]hex-2-enyl] benzoate CAS Name: benzoic acid [(E,1S)-5-methyl-1-[(1R)-4-methyl-2-oxo-1-cyclohex-3-enyl]hex-2-enyl] ester IUPAC Name: [(E,1S)-5-methyl-1-[(1R)-4-methyl-2-oxocyclohex-3-en-1-yl]hex-2-enyl] benzoate Traditional Name: benzoic acid [(E,1S)-1-[(1R)-2-keto-4-methyl-cyclohex-3-en-1-yl]-5-methyl-hex-2-enyl] ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3/c1-15(2)8-7-11-20(18-13-12-16(3)14-19(18)22)24-21(23)17-9-5-4-6-10-17/h4-7,9-11,14-15,18,20H,8,12-13H2,1-3H3/b11-7+/t18-,20-/m0/s1