2-sulfanyl-3-sulfanylidene-4-(3,4,5-trimethoxyphenyl)butanoic acid

Systemtic Name: 2-sulfanyl-3-sulfanylidene-4-(3,4,5-trimethoxyphenyl)butanoic acid Openeye Name: 2-sulfanyl-3-thioxo-4-(3,4,5-trimethoxyphenyl)butanoic acid CAS Name: 2-mercapto-3-sulfanylidene-4-(3,4,5-trimethoxyphenyl)butanoic acid IUPAC Name: 2-sulfanyl-3-sulfanylidene-4-(3,4,5-trimethoxyphenyl)butanoic acid Traditional Name: 2-mercapto-3-thioxo-4-(3,4,5-trimethoxyphenyl)butyric acid Formula: C13H16O5S2 MolecularWeight: 316.39314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=S)C(C(=O)O)S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=S)C(C(=O)O)S

InChI

InChI=1S/C13H16O5S2/c1-16-8-4-7(5-9(17-2)11(8)18-3)6-10(19)12(20)13(14)15/h4-5,12,20H,6H2,1-3H3,(H,14,15)