3-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanylpropanoic acid

Systemtic Name: 3-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanylpropanoic acid Openeye Name: 3-(2-hydroxy-2-oxo-1-phenyl-ethyl)sulfanylpropanoic acid CAS Name: 3-[(2-hydroxy-2-oxo-1-phenylethyl)thio]propanoic acid IUPAC Name: 3-(2-hydroxy-2-oxo-1-phenylethyl)sulfanylpropanoic acid Traditional Name: 3-[(2-hydroxy-2-keto-1-phenyl-ethyl)thio]propionic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SCCC(=O)O

InChI

InChI=1S/C11H12O4S/c12-9(13)6-7-16-10(11(14)15)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,12,13)(H,14,15)