2-oxidanyl-2-[2-(3,4,5-trimethoxyphenyl)ethanethioylsulfanyl]ethanoic acid

Systemtic Name: 2-oxidanyl-2-[2-(3,4,5-trimethoxyphenyl)ethanethioylsulfanyl]ethanoic acid Openeye Name: 2-hydroxy-2-[2-(3,4,5-trimethoxyphenyl)ethanethioyl]sulfanyl-acetic acid CAS Name: 2-hydroxy-2-[[1-sulfanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]thio]acetic acid IUPAC Name: 2-hydroxy-2-[2-(3,4,5-trimethoxyphenyl)ethanethioyl]sulfanylacetic acid Traditional Name: 2-hydroxy-2-[[2-(3,4,5-trimethoxyphenyl)thioacetyl]thio]acetic acid Formula: C13H16O6S2 MolecularWeight: 332.39254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6S2/c1-17-8-4-7(5-9(18-2)11(8)19-3)6-10(20)21-13(16)12(14)15/h4-5,13,16H,6H2,1-3H3,(H,14,15)