[(2S)-2-oxidanyl-4-(4-phenylmethoxyphenyl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-oxidanyl-4-(4-phenylmethoxyphenyl)butyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-4-(4-benzyloxyphenyl)-2-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-4-(4-phenylmethoxyphenyl)butyl] ester IUPAC Name: [(2S)-2-hydroxy-4-(4-phenylmethoxyphenyl)butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-4-(4-benzoxyphenyl)-2-hydroxy-butyl] ester Formula: C24H26O5S MolecularWeight: 426.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CCC2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C24H26O5S/c1-19-7-15-24(16-8-19)30(26,27)29-18-22(25)12-9-20-10-13-23(14-11-20)28-17-21-5-3-2-4-6-21/h2-8,10-11,13-16,22,25H,9,12,17-18H2,1H3/t22-/m0/s1