[(1R,2S,3S,4S,5S,6R)-2,3,4,5-tetrakis(oxidanyl)-6-(phenylcarbonyloxy)cyclohexyl] benzoate

Systemtic Name: [(1R,2S,3S,4S,5S,6R)-2,3,4,5-tetrakis(oxidanyl)-6-(phenylcarbonyloxy)cyclohexyl] benzoate Openeye Name: [(1R,2R,3S,4S,5S,6S)-2-benzoyloxy-3,4,5,6-tetrahydroxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2R,3S,4S,5S,6S)-2-benzoyloxy-3,4,5,6-tetrahydroxycyclohexyl] ester IUPAC Name: [(1R,2R,3S,4S,5S,6S)-2-benzoyloxy-3,4,5,6-tetrahydroxycyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2R,3S,4S,5S,6S)-2-benzoyloxy-3,4,5,6-tetrahydroxy-cyclohexyl] ester Formula: C20H20O8 MolecularWeight: 388.368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CC=CC=C3)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H]([C@H]2OC(=O)C3=CC=CC=C3)O)O)O)O

InChI

InChI=1S/C20H20O8/c21-13-14(22)16(24)18(28-20(26)12-9-5-2-6-10-12)17(15(13)23)27-19(25)11-7-3-1-4-8-11/h1-10,13-18,21-24H/t13-,14-,15-,16-,17+,18+/m0/s1