[(1R,2S,5S)-2-chloranyl-2-methyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexyl] benzoate

Systemtic Name: [(1R,2S,5S)-2-chloranyl-2-methyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexyl] benzoate Openeye Name: [(1R,2S,5S)-2-chloro-5-isopropenyl-2-methyl-3-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,5S)-2-chloro-2-methyl-5-(1-methylethenyl)-3-oxocyclohexyl] ester IUPAC Name: [(1R,2S,5S)-2-chloro-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,5S)-2-chloro-5-isopropenyl-3-keto-2-methyl-cyclohexyl] ester Formula: C17H19ClO3 MolecularWeight: 306.78396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC(C(C(=O)C1)(C)Cl)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=C)[C@H]1C[C@H]([C@](C(=O)C1)(C)Cl)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19ClO3/c1-11(2)13-9-14(19)17(3,18)15(10-13)21-16(20)12-7-5-4-6-8-12/h4-8,13,15H,1,9-10H2,2-3H3/t13-,15-,17-/m1/s1