[(2S)-2-oxidanyl-2-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-oxidanyl-2-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-hydroxy-2-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-2-phenylpropyl] ester IUPAC Name: [(2S)-2-hydroxy-2-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-2-phenyl-propyl] ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4S/c1-13-8-10-15(11-9-13)21(18,19)20-12-16(2,17)14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3/t16-/m1/s1