[(2S)-3-cyano-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-cyano-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-3-cyano-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-cyano-2-hydroxypropyl] ester IUPAC Name: [(2S)-3-cyano-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-cyano-2-hydroxy-propyl] ester Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC#N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CC#N)O

InChI

InChI=1S/C11H13NO4S/c1-9-2-4-11(5-3-9)17(14,15)16-8-10(13)6-7-12/h2-5,10,13H,6,8H2,1H3/t10-/m0/s1