[(3S)-3-oxidanylbutyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-3-oxidanylbutyl] 4-methylbenzenesulfonate Openeye Name: [(3S)-3-hydroxybutyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxybutyl] ester IUPAC Name: [(3S)-3-hydroxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxybutyl] ester Formula: C11H16O4S MolecularWeight: 244.30734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)O

Isomeric SMILES

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

InChI

InChI=1S/C11H16O4S/c1-9-3-5-11(6-4-9)16(13,14)15-8-7-10(2)12/h3-6,10,12H,7-8H2,1-2H3/t10-/m0/s1