4-(3,4-dimethoxyphenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 2-acetylsulfanyl-4-(3,4-dimethoxyphenyl)-4-oxo-butanoic acid CAS Name: 2-(acetylthio)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid IUPAC Name: 2-acetylsulfanyl-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid Traditional Name: 2-(acetylthio)-4-(3,4-dimethoxyphenyl)-4-keto-butyric acid Formula: C14H16O6S MolecularWeight: 312.33824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O6S/c1-8(15)21-13(14(17)18)7-10(16)9-4-5-11(19-2)12(6-9)20-3/h4-6,13H,7H2,1-3H3,(H,17,18)