2-pyridin-4-yl-3H-benzimidazole-5-sulfonic acid hydrate

Systemtic Name: 2-pyridin-4-yl-3H-benzimidazole-5-sulfonic acid hydrate Openeye Name: 2-(4-pyridyl)-3H-benzimidazole-5-sulfonic acid hydrate CAS Name: 2-pyridin-4-yl-3H-benzimidazole-5-sulfonic acid hydrate IUPAC Name: 2-pyridin-4-yl-3H-benzimidazole-5-sulfonic acid hydrate Traditional Name: 2-(4-pyridyl)-3H-benzimidazole-5-sulfonic acid hydrate Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O3S.H2O/c16-19(17,18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8;/h1-7H,(H,14,15)(H,16,17,18);1H2