2-[4-(1H-benzimidazol-2-ylcarbonyl)-2-sulfo-phenyl]carbonyl-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[4-(1H-benzimidazol-2-ylcarbonyl)-2-sulfo-phenyl]carbonyl-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[4-(1H-benzimidazole-2-carbonyl)-2-sulfo-benzoyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[[4-[1H-benzimidazol-2-yl(oxo)methyl]-2-sulfophenyl]-oxomethyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[4-(1H-benzimidazole-2-carbonyl)-2-sulfobenzoyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[4-(1H-benzimidazole-2-carbonyl)-2-sulfo-benzoyl]-3H-benzimidazole-5-sulfonic acid Formula: C22H14N4O8S2 MolecularWeight: 526.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=O)C3=CC(=C(C=C3)C(=O)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(=O)C3=CC(=C(C=C3)C(=O)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H14N4O8S2/c27-19(21-23-14-3-1-2-4-15(14)24-21)11-5-7-13(18(9-11)36(32,33)34)20(28)22-25-16-8-6-12(35(29,30)31)10-17(16)26-22/h1-10H,(H,23,24)(H,25,26)(H,29,30,31)(H,32,33,34)