[(2R)-2-(hydroxymethyl)-4-phenylsulfanyl-butyl] ethanoate

Systemtic Name: [(2R)-2-(hydroxymethyl)-4-phenylsulfanyl-butyl] ethanoate Openeye Name: [(2R)-2-(hydroxymethyl)-4-phenylsulfanyl-butyl] acetate CAS Name: acetic acid [(2R)-2-(hydroxymethyl)-4-(phenylthio)butyl] ester IUPAC Name: [(2R)-2-(hydroxymethyl)-4-phenylsulfanylbutyl] acetate Traditional Name: acetic acid [(2R)-2-methylol-4-(phenylthio)butyl] ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCSC1=CC=CC=C1)CO

Isomeric SMILES

CC(=O)OC[C@H](CCSC1=CC=CC=C1)CO

InChI

InChI=1S/C13H18O3S/c1-11(15)16-10-12(9-14)7-8-17-13-5-3-2-4-6-13/h2-6,12,14H,7-10H2,1H3/t12-/m1/s1