4-oxidanyl-5-oxidanylidene-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-sulfo-1H-benzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 4-oxidanyl-5-oxidanylidene-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-sulfo-1H-benzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 4-hydroxy-5-oxo-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-sulfo-1H-benzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 4-hydroxy-5-oxo-3-[(6-sulfo-1H-benzimidazol-2-yl)thio]-2-[[(6-sulfo-1H-benzimidazol-2-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 4-hydroxy-5-oxo-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-sulfo-1H-benzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-[(6-sulfo-1H-benzimidazol-2-yl)thio]-2-[[(6-sulfo-1H-benzimidazol-2-yl)thio]methyl]-2-furoic acid Formula: C20H14N4O11S4 MolecularWeight: 614.60536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C20H14N4O11S4/c25-14-15(37-19-22-11-4-2-9(39(32,33)34)6-13(11)24-19)20(17(27)28,35-16(14)26)7-36-18-21-10-3-1-8(38(29,30)31)5-12(10)23-18/h1-6,25H,7H2,(H,21,23)(H,22,24)(H,27,28)(H,29,30,31)(H,32,33,34)