[(1S,2S,4R)-2-chloranyl-1-methyl-6-oxidanylidene-4-prop-1-en-2-yl-cyclohexyl] benzoate

Systemtic Name: [(1S,2S,4R)-2-chloranyl-1-methyl-6-oxidanylidene-4-prop-1-en-2-yl-cyclohexyl] benzoate Openeye Name: [(1S,2S,4R)-2-chloro-4-isopropenyl-1-methyl-6-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2S,4R)-2-chloro-1-methyl-4-(1-methylethenyl)-6-oxocyclohexyl] ester IUPAC Name: [(1S,2S,4R)-2-chloro-1-methyl-6-oxo-4-prop-1-en-2-ylcyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2S,4R)-2-chloro-4-isopropenyl-6-keto-1-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)OC(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClO3/c1-11(2)13-9-14(18)17(3,15(19)10-13)21-16(20)12-7-5-4-6-8-12/h4-8,13-14H,1,9-10H2,2-3H3/t13-,14-,17+/m0/s1