4-[(3-oxidanylidene-1,2-dihydrobenzotriazol-3-ium-5-yl)sulfonylamino]benzoic acid

Systemtic Name: 4-[(3-oxidanylidene-1,2-dihydrobenzotriazol-3-ium-5-yl)sulfonylamino]benzoic acid Openeye Name: 4-[(3-oxo-1,2-dihydrobenzotriazol-3-ium-5-yl)sulfonylamino]benzoic acid CAS Name: 4-[(3-oxo-1,2-dihydrobenzotriazol-3-ium-5-yl)sulfonylamino]benzoic acid IUPAC Name: 4-[(3-oxo-1,2-dihydrobenzotriazol-3-ium-5-yl)sulfonylamino]benzoic acid Traditional Name: 4-[(3-keto-1,2-dihydrobenzotriazol-3-ium-5-yl)sulfonylamino]benzoic acid Formula: C13H11N4O5S+ MolecularWeight: 335.31524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)NN[N+]3=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)NN[N+]3=O

InChI

InChI=1S/C13H10N4O5S/c18-13(19)8-1-3-9(4-2-8)15-23(21,22)10-5-6-11-12(7-10)17(20)16-14-11/h1-7,15H,(H2-,14,16,18,19,20)/p+1