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

Systemtic Name: 2-(4H-1,2,4-triazol-4-ium-3-yldiazenyl)benzoic acid chloride Openeye Name: 2-(4H-1,2,4-triazol-4-ium-3-ylazo)benzoic acid chloride CAS Name: 2-(4H-1,2,4-triazol-4-ium-3-ylazo)benzoic acid chloride IUPAC Name: 2-(4H-1,2,4-triazol-4-ium-3-yldiazenyl)benzoic acid chloride Traditional Name: 2-(4H-1,2,4-triazol-4-ium-3-ylazo)benzoic acid chloride Formula: C9H8ClN5O2 MolecularWeight: 253.64512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N5O2.ClH/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);1H