4-azanylbenzenesulfonate; 1H-benzimidazol-1-ium

Systemtic Name: 4-azanylbenzenesulfonate; 1H-benzimidazol-1-ium Openeye Name: 4-aminobenzenesulfonate; 1H-benzimidazol-1-ium CAS Name: 4-aminobenzenesulfonate; 1H-benzimidazol-1-ium IUPAC Name: 4-aminobenzenesulfonate; 1H-benzimidazol-1-ium Traditional Name: 4-aminobesylate; 1H-benzimidazol-1-ium Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH2+]C=N2.C1=CC(=CC=C1N)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[NH2+]C=N2.C1=CC(=CC=C1N)S(=O)(=O)[O-]

InChI

InChI=1S/C7H6N2.C6H7NO3S/c1-2-4-7-6(3-1)8-5-9-7;7-5-1-3-6(4-2-5)11(8,9)10/h1-5H,(H,8,9);1-4H,7H2,(H,8,9,10)