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

Systemtic Name: 2-[6-(6-sulfo-1H-benzimidazol-2-yl)pyridin-2-yl]-3H-benzimidazole-5-sulfonic acid hydrate Openeye Name: 2-[6-(6-sulfo-1H-benzimidazol-2-yl)-2-pyridyl]-3H-benzimidazole-5-sulfonic acid hydrate CAS Name: 2-[6-(6-sulfo-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazole-5-sulfonic acid hydrate IUPAC Name: 2-[6-(6-sulfo-1H-benzimidazol-2-yl)pyridin-2-yl]-3H-benzimidazole-5-sulfonic acid hydrate Traditional Name: 2-[6-(6-sulfo-1H-benzimidazol-2-yl)-2-pyridyl]-3H-benzimidazole-5-sulfonic acid hydrate Formula: C19H15N5O7S2 MolecularWeight: 489.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O.O

Isomeric SMILES

C1=CC(=NC(=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O.O

InChI

InChI=1S/C19H13N5O6S2.H2O/c25-31(26,27)10-4-6-12-16(8-10)23-18(21-12)14-2-1-3-15(20-14)19-22-13-7-5-11(32(28,29)30)9-17(13)24-19;/h1-9H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30);1H2