(phenylmethyl) 2-sulfanylpropanoate ethanoate

Systemtic Name: (phenylmethyl) 2-sulfanylpropanoate ethanoate Openeye Name: benzyl 2-sulfanylpropanoate acetate CAS Name: 2-mercaptopropanoic acid (phenylmethyl) ester acetate IUPAC Name: benzyl 2-sulfanylpropanoate acetate Traditional Name: 2-mercaptopropionic acid benzyl ester acetate Formula: C12H15O4S- MolecularWeight: 255.3101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)S.CC(=O)[O-]

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)S.CC(=O)[O-]

InChI

InChI=1S/C10H12O2S.C2H4O2/c1-8(13)10(11)12-7-9-5-3-2-4-6-9;1-2(3)4/h2-6,8,13H,7H2,1H3;1H3,(H,3,4)/p-1