2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylethanoic acid

Systemtic Name: 2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylethanoic acid Openeye Name: 2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylacetic acid CAS Name: 2-[[1,3-benzodioxol-5-yl-(carboxymethylthio)methyl]thio]acetic acid IUPAC Name: 2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylacetic acid Traditional Name: 2-[[1,3-benzodioxol-5-yl-(carboxymethylthio)methyl]thio]acetic acid Formula: C12H12O6S2 MolecularWeight: 316.35008

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(SCC(=O)O)SCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C12H12O6S2/c13-10(14)4-19-12(20-5-11(15)16)7-1-2-8-9(3-7)18-6-17-8/h1-3,12H,4-6H2,(H,13,14)(H,15,16)