[(2S,3S)-2-methyl-3-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-methyl-3-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-3-hydroxy-2-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-hydroxy-2-methylbutyl] ester IUPAC Name: [(2S,3S)-3-hydroxy-2-methylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-hydroxy-2-methyl-butyl] ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O4S/c1-9-4-6-12(7-5-9)17(14,15)16-8-10(2)11(3)13/h4-7,10-11,13H,8H2,1-3H3/t10-,11-/m0/s1