[(1R,2R,3S,6S)-6-oxidanyl-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)cyclohexyl] benzoate

Systemtic Name: [(1R,2R,3S,6S)-6-oxidanyl-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)cyclohexyl] benzoate Openeye Name: [(1R,2R,3S,6S)-2,3-dibenzoyloxy-6-hydroxy-4-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2R,3S,6S)-2,3-dibenzoyloxy-6-hydroxy-4-oxocyclohexyl] ester IUPAC Name: [(1R,2R,3S,6S)-2,3-dibenzoyloxy-6-hydroxy-4-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2R,3S,6S)-2,3-dibenzoyloxy-6-hydroxy-4-keto-cyclohexyl] ester Formula: C27H22O8 MolecularWeight: 474.45878

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1=O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1[C@@H]([C@H]([C@H]([C@@H](C1=O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C27H22O8/c28-20-16-21(29)23(34-26(31)18-12-6-2-7-13-18)24(35-27(32)19-14-8-3-9-15-19)22(20)33-25(30)17-10-4-1-5-11-17/h1-15,20,22-24,28H,16H2/t20-,22+,23+,24+/m0/s1