[(1R,2R)-2-oxidanyl-1,2-diphenoxy-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2R)-2-oxidanyl-1,2-diphenoxy-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2R)-2-hydroxy-1,2-diphenoxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2R)-2-hydroxy-1,2-diphenoxyethyl] ester IUPAC Name: [(1R,2R)-2-hydroxy-1,2-diphenoxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2R)-2-hydroxy-1,2-diphenoxy-ethyl] ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(O)OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]([C@H](O)OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H20O6S/c1-16-12-14-19(15-13-16)28(23,24)27-21(26-18-10-6-3-7-11-18)20(22)25-17-8-4-2-5-9-17/h2-15,20-22H,1H3/t20-,21-/m1/s1