2-(hydroxymethyl)-4-methylsulfonyl-2-phenyl-butanoate

Systemtic Name: 2-(hydroxymethyl)-4-methylsulfonyl-2-phenyl-butanoate Openeye Name: 2-(hydroxymethyl)-4-methylsulfonyl-2-phenyl-butanoate CAS Name: 2-(hydroxymethyl)-4-methylsulfonyl-2-phenylbutanoate IUPAC Name: 2-(hydroxymethyl)-4-methylsulfonyl-2-phenylbutanoate Traditional Name: 4-mesyl-2-methylol-2-phenyl-butyrate Formula: C12H15O5S- MolecularWeight: 271.3095

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(CO)(C1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)CCC(CO)(C1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C12H16O5S/c1-18(16,17)8-7-12(9-13,11(14)15)10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3,(H,14,15)/p-1