2-oxidanylidene-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-oxidanylidene-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]propanoic acid Openeye Name: 2-oxo-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]propanoic acid CAS Name: 2-oxo-3-[(6-sulfo-1H-benzimidazol-2-yl)thio]propanoic acid IUPAC Name: 2-oxo-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]propanoic acid Traditional Name: 2-keto-3-[(6-sulfo-1H-benzimidazol-2-yl)thio]propionic acid Formula: C10H8N2O6S2 MolecularWeight: 316.31032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCC(=O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCC(=O)C(=O)O

InChI

InChI=1S/C10H8N2O6S2/c13-8(9(14)15)4-19-10-11-6-2-1-5(20(16,17)18)3-7(6)12-10/h1-3H,4H2,(H,11,12)(H,14,15)(H,16,17,18)