5-oxidanyl-2-phenyl-1H-benzimidazol-3-ium-4-sulfonate

Systemtic Name: 5-oxidanyl-2-phenyl-1H-benzimidazol-3-ium-4-sulfonate Openeye Name: 5-hydroxy-2-phenyl-1H-benzimidazol-3-ium-4-sulfonate CAS Name: 5-hydroxy-2-phenyl-1H-benzimidazol-3-ium-4-sulfonate IUPAC Name: 5-hydroxy-2-phenyl-1H-benzimidazol-3-ium-4-sulfonate Traditional Name: 5-hydroxy-2-phenyl-1H-benzimidazol-3-ium-4-sulfonate Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C3=C(N2)C=CC(=C3S(=O)(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C3=C(N2)C=CC(=C3S(=O)(=O)[O-])O

InChI

InChI=1S/C13H10N2O4S/c16-10-7-6-9-11(12(10)20(17,18)19)15-13(14-9)8-4-2-1-3-5-8/h1-7,16H,(H,14,15)(H,17,18,19)