[(1R,2R,3R,5R)-2,3-bis(oxidanyl)-5-phenylmethoxy-cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2R,3R,5R)-2,3-bis(oxidanyl)-5-phenylmethoxy-cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2R,3R,5R)-5-benzyloxy-2,3-dihydroxy-cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2R,3R,5R)-2,3-dihydroxy-5-phenylmethoxycyclohexyl] ester IUPAC Name: [(1R,2R,3R,5R)-2,3-dihydroxy-5-phenylmethoxycyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2R,3R,5R)-5-benzoxy-2,3-dihydroxy-cyclohexyl] ester Formula: C20H24O6S MolecularWeight: 392.46596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CC(C2O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C[C@@H](C[C@H]([C@H]2O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H24O6S/c1-14-7-9-17(10-8-14)27(23,24)26-19-12-16(11-18(21)20(19)22)25-13-15-5-3-2-4-6-15/h2-10,16,18-22H,11-13H2,1H3/t16-,18-,19-,20-/m1/s1