2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C20H14N4O6S2 MolecularWeight: 470.47836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C20H14N4O6S2/c25-31(26,27)13-5-7-15-17(9-13)23-19(21-15)11-1-2-12(4-3-11)20-22-16-8-6-14(32(28,29)30)10-18(16)24-20/h1-10H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)