2-(4-sulfopyridin-2-yl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(4-sulfopyridin-2-yl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(4-sulfo-2-pyridyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-(4-sulfo-2-pyridinyl)-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(4-sulfopyridin-2-yl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(4-sulfo-2-pyridyl)-3H-benzimidazole-5-sulfonic acid Formula: C12H9N3O6S2 MolecularWeight: 355.34636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)C3=NC=CC(=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)C3=NC=CC(=C3)S(=O)(=O)O

InChI

InChI=1S/C12H9N3O6S2/c16-22(17,18)7-1-2-9-10(5-7)15-12(14-9)11-6-8(3-4-13-11)23(19,20)21/h1-6H,(H,14,15)(H,16,17,18)(H,19,20,21)