[(S)-[(1R,2R)-2-oxidanyl-5-oxidanylidene-cyclohexyl]-phenyl-methyl] benzoate

Systemtic Name: [(S)-[(1R,2R)-2-oxidanyl-5-oxidanylidene-cyclohexyl]-phenyl-methyl] benzoate Openeye Name: [(S)-[(1R,2R)-2-hydroxy-5-oxo-cyclohexyl]-phenyl-methyl] benzoate CAS Name: benzoic acid [(S)-[(1R,2R)-2-hydroxy-5-oxocyclohexyl]-phenylmethyl] ester IUPAC Name: [(S)-[(1R,2R)-2-hydroxy-5-oxocyclohexyl]-phenylmethyl] benzoate Traditional Name: benzoic acid [(S)-[(1R,2R)-2-hydroxy-5-keto-cyclohexyl]-phenyl-methyl] ester Formula: C20H20O4 MolecularWeight: 324.3704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(C1O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(=O)C[C@H]([C@@H]1O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20O4/c21-16-11-12-18(22)17(13-16)19(14-7-3-1-4-8-14)24-20(23)15-9-5-2-6-10-15/h1-10,17-19,22H,11-13H2/t17-,18-,19-/m1/s1