2-(2-phenyl-3-sulfanyl-propanoyl)oxyethanoic acid

Systemtic Name: 2-(2-phenyl-3-sulfanyl-propanoyl)oxyethanoic acid Openeye Name: 2-(2-phenyl-3-sulfanyl-propanoyl)oxyacetic acid CAS Name: 2-(3-mercapto-1-oxo-2-phenylpropoxy)acetic acid IUPAC Name: 2-(2-phenyl-3-sulfanylpropanoyl)oxyacetic acid Traditional Name: 2-(3-mercapto-2-phenyl-propanoyl)oxyacetic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CS)C(=O)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CS)C(=O)OCC(=O)O

InChI

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