2-[carboxymethylsulfanyl-(3-methoxy-4-oxidanyl-phenyl)methyl]sulfanylethanoic acid

Systemtic Name: 2-[carboxymethylsulfanyl-(3-methoxy-4-oxidanyl-phenyl)methyl]sulfanylethanoic acid Openeye Name: 2-[carboxymethylsulfanyl-(4-hydroxy-3-methoxy-phenyl)methyl]sulfanylacetic acid CAS Name: 2-[[(carboxymethylthio)-(4-hydroxy-3-methoxyphenyl)methyl]thio]acetic acid IUPAC Name: 2-[carboxymethylsulfanyl-(4-hydroxy-3-methoxyphenyl)methyl]sulfanylacetic acid Traditional Name: 2-[[(carboxymethylthio)-(4-hydroxy-3-methoxy-phenyl)methyl]thio]acetic acid Formula: C12H14O6S2 MolecularWeight: 318.36596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(SCC(=O)O)SCC(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(SCC(=O)O)SCC(=O)O)O

InChI

InChI=1S/C12H14O6S2/c1-18-9-4-7(2-3-8(9)13)12(19-5-10(14)15)20-6-11(16)17/h2-4,12-13H,5-6H2,1H3,(H,14,15)(H,16,17)