2,3,5-triphenyl-1H-1,2,3,4-tetrazol-1-ium chloride phosphate

Systemtic Name: 2,3,5-triphenyl-1H-1,2,3,4-tetrazol-1-ium chloride phosphate Openeye Name: 2,3,5-triphenyl-1H-tetrazol-1-ium chloride phosphate CAS Name: 2,3,5-triphenyl-1H-tetrazol-1-ium chloride phosphate IUPAC Name: 2,3,5-triphenyl-1H-tetrazol-1-ium chloride phosphate Traditional Name: 2,3,5-triphenyl-1H-tetrazol-1-ium chloride phosphate Formula: C19H17ClN4O4P-3 MolecularWeight: 431.789441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(N([NH2+]2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]P(=O)([O-])[O-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N([NH2+]2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]P(=O)([O-])[O-].[Cl-]

InChI

InChI=1S/C19H16N4.ClH.H3O4P/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;;1-5(2,3)4/h1-15H,(H,20,21);1H;(H3,1,2,3,4)/p-3