2-(4H-1,2,4-triazol-4-ium-3-yldiazenyl)benzoic acid

Systemtic Name: 2-(4H-1,2,4-triazol-4-ium-3-yldiazenyl)benzoic acid Openeye Name: 2-(4H-1,2,4-triazol-4-ium-3-ylazo)benzoic acid CAS Name: 2-(4H-1,2,4-triazol-4-ium-3-ylazo)benzoic acid IUPAC Name: 2-(4H-1,2,4-triazol-4-ium-3-yldiazenyl)benzoic acid Traditional Name: 2-(4H-1,2,4-triazol-4-ium-3-ylazo)benzoic acid Formula: C9H8N5O2+ MolecularWeight: 218.19212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)N=NC2=NN=C[NH2+]2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N=NC2=NN=C[NH2+]2

InChI

InChI=1S/C9H7N5O2/c15-8(16)6-3-1-2-4-7(6)12-14-9-10-5-11-13-9/h1-5H,(H,15,16)(H,10,11,13)/p+1