[(1S,3R,4R,5R)-1-methoxycarbonyl-3-methylsulfonyloxy-4,5-bis(oxidanyl)cyclohexyl] benzoate

Systemtic Name: [(1S,3R,4R,5R)-1-methoxycarbonyl-3-methylsulfonyloxy-4,5-bis(oxidanyl)cyclohexyl] benzoate Openeye Name: [(1S,3R,4R,5R)-3,4-dihydroxy-1-methoxycarbonyl-5-methylsulfonyloxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,3R,4R,5R)-3,4-dihydroxy-1-methoxycarbonyl-5-methylsulfonyloxycyclohexyl] ester IUPAC Name: [(1S,3R,4R,5R)-3,4-dihydroxy-1-methoxycarbonyl-5-methylsulfonyloxycyclohexyl] benzoate Traditional Name: benzoic acid [(1S,3R,4R,5R)-1-carbomethoxy-3,4-dihydroxy-5-methylsulfonyloxy-cyclohexyl] ester Formula: C16H20O9S MolecularWeight: 388.3896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O9S/c1-23-15(20)16(24-14(19)10-6-4-3-5-7-10)8-11(17)13(18)12(9-16)25-26(2,21)22/h3-7,11-13,17-18H,8-9H2,1-2H3/t11-,12-,13-,16+/m1/s1