2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 2-acetylsulfanyl-4-oxo-4-phenyl-butanoic acid CAS Name: 2-(acetylthio)-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-acetylsulfanyl-4-oxo-4-phenylbutanoic acid Traditional Name: 2-(acetylthio)-4-keto-4-phenyl-butyric acid Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SC(CC(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H12O4S/c1-8(13)17-11(12(15)16)7-10(14)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3,(H,15,16)