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

Systemtic Name: [(1R,2S,5R)-5-methoxycarbonyl-5-oxidanyl-3-oxidanylidene-2-(phenylcarbonyloxy)cyclohexyl] benzoate Openeye Name: [(1R,2S,5R)-2-benzoyloxy-5-hydroxy-5-methoxycarbonyl-3-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,5R)-2-benzoyloxy-5-hydroxy-5-methoxycarbonyl-3-oxocyclohexyl] ester IUPAC Name: [(1R,2S,5R)-2-benzoyloxy-5-hydroxy-5-methoxycarbonyl-3-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,5R)-2-benzoyloxy-5-carbomethoxy-5-hydroxy-3-keto-cyclohexyl] ester Formula: C22H20O8 MolecularWeight: 412.3894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(C(=O)C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H20O8/c1-28-21(26)22(27)12-16(23)18(30-20(25)15-10-6-3-7-11-15)17(13-22)29-19(24)14-8-4-2-5-9-14/h2-11,17-18,27H,12-13H2,1H3/t17-,18-,22+/m1/s1