[(2S)-2-(hydroxymethyl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-(hydroxymethyl)butyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(hydroxymethyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-(hydroxymethyl)butyl] ester IUPAC Name: [(2S)-2-(hydroxymethyl)butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-methylolbutyl] ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CC[C@@H](CO)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H18O4S/c1-3-11(8-13)9-16-17(14,15)12-6-4-10(2)5-7-12/h4-7,11,13H,3,8-9H2,1-2H3/t11-/m0/s1