4-methoxy-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoic acid

Systemtic Name: 4-methoxy-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoic acid Openeye Name: 3-benzoylsulfanyl-4-methoxy-4-oxo-butanoic acid CAS Name: 3-(benzoylthio)-4-methoxy-4-oxobutanoic acid IUPAC Name: 3-benzoylsulfanyl-4-methoxy-4-oxobutanoic acid Traditional Name: 3-(benzoylthio)-4-keto-4-methoxy-butyric acid Formula: C12H12O5S MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O5S/c1-17-11(15)9(7-10(13)14)18-12(16)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,14)