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

Systemtic Name: 2-[2-(6-sulfo-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[2-(6-sulfo-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[2-(6-sulfo-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[2-(6-sulfo-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[2-(6-sulfo-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-sulfonic acid Formula: C16H14N4O6S2 MolecularWeight: 422.43556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)CCC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)CCC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C16H14N4O6S2/c21-27(22,23)9-1-3-11-13(7-9)19-15(17-11)5-6-16-18-12-4-2-10(28(24,25)26)8-14(12)20-16/h1-4,7-8H,5-6H2,(H,17,19)(H,18,20)(H,21,22,23)(H,24,25,26)