[(2R)-2-oxidanyl-3-(4-phenylmethoxyphenyl)propyl] 3-methylbenzenesulfonate

Systemtic Name: [(2R)-2-oxidanyl-3-(4-phenylmethoxyphenyl)propyl] 3-methylbenzenesulfonate Openeye Name: [(2R)-3-(4-benzyloxyphenyl)-2-hydroxy-propyl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [(2R)-2-hydroxy-3-(4-phenylmethoxyphenyl)propyl] ester IUPAC Name: [(2R)-2-hydroxy-3-(4-phenylmethoxyphenyl)propyl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [(2R)-3-(4-benzoxyphenyl)-2-hydroxy-propyl] ester Formula: C23H24O5S MolecularWeight: 412.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OCC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C23H24O5S/c1-18-6-5-9-23(14-18)29(25,26)28-17-21(24)15-19-10-12-22(13-11-19)27-16-20-7-3-2-4-8-20/h2-14,21,24H,15-17H2,1H3/t21-/m1/s1