2-[(E)-2-pyridin-2-ylethenyl]-3H-benzimidazole-5-sulfonic acid hydrate hydrochloride

Systemtic Name: 2-[(E)-2-pyridin-2-ylethenyl]-3H-benzimidazole-5-sulfonic acid hydrate hydrochloride Openeye Name: 2-[(E)-2-(2-pyridyl)vinyl]-3H-benzimidazole-5-sulfonic acid hydrate hydrochloride CAS Name: 2-[(E)-2-(2-pyridinyl)ethenyl]-3H-benzimidazole-5-sulfonic acid hydrate hydrochloride IUPAC Name: 2-[(E)-2-pyridin-2-ylethenyl]-3H-benzimidazole-5-sulfonic acid hydrate hydrochloride Traditional Name: 2-[(E)-2-(2-pyridyl)vinyl]-3H-benzimidazole-5-sulfonic acid hydrate hydrochloride Formula: C14H14ClN3O4S MolecularWeight: 355.79666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C=CC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O.O.Cl

Isomeric SMILES

C1=CC=NC(=C1)/C=C/C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O.O.Cl

InChI

InChI=1S/C14H11N3O3S.ClH.H2O/c18-21(19,20)11-5-6-12-13(9-11)17-14(16-12)7-4-10-3-1-2-8-15-10;;/h1-9H,(H,16,17)(H,18,19,20);1H;1H2/b7-4+;;