[(2R)-2-oxidanyl-2-(4-phenylmethoxyphenyl)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-oxidanyl-2-(4-phenylmethoxyphenyl)ethyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-(4-benzyloxyphenyl)-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-(4-benzoxyphenyl)-2-hydroxy-ethyl] ester Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O5S/c1-17-7-13-21(14-8-17)28(24,25)27-16-22(23)19-9-11-20(12-10-19)26-15-18-5-3-2-4-6-18/h2-14,22-23H,15-16H2,1H3/t22-/m0/s1