(2S)-3-methyl-2-(phenylsulfonylmethyl)butane-1,3-diol

Systemtic Name: (2S)-3-methyl-2-(phenylsulfonylmethyl)butane-1,3-diol Openeye Name: (2S)-2-(benzenesulfonylmethyl)-3-methyl-butane-1,3-diol CAS Name: (2S)-2-(benzenesulfonylmethyl)-3-methylbutane-1,3-diol IUPAC Name: (2S)-2-(benzenesulfonylmethyl)-3-methylbutane-1,3-diol Traditional Name: (2S)-2-(besylmethyl)-3-methyl-butane-1,3-diol Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CO)CS(=O)(=O)C1=CC=CC=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C12H18O4S/c1-12(2,14)10(8-13)9-17(15,16)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/t10-/m1/s1