[(3S)-3-oxidanyl-3-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-3-oxidanyl-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(3S)-3-hydroxy-3-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxy-3-phenylpropyl] ester IUPAC Name: [(3S)-3-hydroxy-3-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxy-3-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)OCCC(C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4S/c1-13-7-9-15(10-8-13)21(18,19)20-12-11-16(17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16-/m0/s1