[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)sulfinyl-2-oxidanyl-propyl] benzoate

Systemtic Name: [(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)sulfinyl-2-oxidanyl-propyl] benzoate Openeye Name: [(2R)-2-hydroxy-2-(hydroxymethyl)-3-(p-tolylsulfinyl)propyl] benzoate CAS Name: benzoic acid [(2R)-2-hydroxy-2-(hydroxymethyl)-3-(4-methylphenyl)sulfinylpropyl] ester IUPAC Name: [(2R)-2-hydroxy-2-(hydroxymethyl)-3-(4-methylphenyl)sulfinylpropyl] benzoate Traditional Name: benzoic acid [(2R)-2-hydroxy-2-methylol-3-(p-tolylsulfinyl)propyl] ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC(CO)(COC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C[C@@](CO)(COC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C18H20O5S/c1-14-7-9-16(10-8-14)24(22)13-18(21,11-19)12-23-17(20)15-5-3-2-4-6-15/h2-10,19,21H,11-13H2,1H3/t18-,24?/m1/s1