[(1R,2S,5R)-5-oxidanyl-3-oxidanylidene-2-(phenylcarbonyloxy)cyclohexyl] benzoate

Systemtic Name: [(1R,2S,5R)-5-oxidanyl-3-oxidanylidene-2-(phenylcarbonyloxy)cyclohexyl] benzoate Openeye Name: [(1R,2S,5R)-2-benzoyloxy-5-hydroxy-3-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,5R)-2-benzoyloxy-5-hydroxy-3-oxocyclohexyl] ester IUPAC Name: [(1R,2S,5R)-2-benzoyloxy-5-hydroxy-3-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,5R)-2-benzoyloxy-5-hydroxy-3-keto-cyclohexyl] ester Formula: C20H18O6 MolecularWeight: 354.35332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1[C@H](CC(=O)[C@H]([C@@H]1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H18O6/c21-15-11-16(22)18(26-20(24)14-9-5-2-6-10-14)17(12-15)25-19(23)13-7-3-1-4-8-13/h1-10,15,17-18,21H,11-12H2/t15-,17+,18+/m0/s1