[(1S,2S,4R,6R)-2-methylsulfonyloxy-4-oxidanyl-6-(phenylcarbonyloxy)cyclohexyl]methyl benzoate

Systemtic Name: [(1S,2S,4R,6R)-2-methylsulfonyloxy-4-oxidanyl-6-(phenylcarbonyloxy)cyclohexyl]methyl benzoate Openeye Name: [(1S,2R,4R,6S)-2-benzoyloxy-4-hydroxy-6-methylsulfonyloxy-cyclohexyl]methyl benzoate CAS Name: benzoic acid [(1S,2R,4R,6S)-2-benzoyloxy-4-hydroxy-6-methylsulfonyloxycyclohexyl]methyl ester IUPAC Name: [(1S,2R,4R,6S)-2-benzoyloxy-4-hydroxy-6-methylsulfonyloxycyclohexyl]methyl benzoate Traditional Name: benzoic acid [(1S,2R,4R,6S)-2-benzoyloxy-4-hydroxy-6-methylsulfonyloxy-cyclohexyl]methyl ester Formula: C22H24O8S MolecularWeight: 448.48616

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(CC(C1COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H24O8S/c1-31(26,27)30-20-13-17(23)12-19(29-22(25)16-10-6-3-7-11-16)18(20)14-28-21(24)15-8-4-2-5-9-15/h2-11,17-20,23H,12-14H2,1H3/t17-,18+,19-,20+/m1/s1