2,3,5-tris(4-nitrophenyl)-1H-1,2,3,4-tetrazol-1-ium bromide

Systemtic Name: 2,3,5-tris(4-nitrophenyl)-1H-1,2,3,4-tetrazol-1-ium bromide Openeye Name: 2,3,5-tris(4-nitrophenyl)-1H-tetrazol-1-ium bromide CAS Name: 2,3,5-tris(4-nitrophenyl)-1H-tetrazol-1-ium bromide IUPAC Name: 2,3,5-tris(4-nitrophenyl)-1H-tetrazol-1-ium bromide Traditional Name: 2,3,5-tris(4-nitrophenyl)-1H-tetrazol-1-ium bromide Formula: C19H14BrN7O6 MolecularWeight: 516.26176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(N([NH2+]2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(N([NH2+]2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H13N7O6.BrH/c27-24(28)16-3-1-13(2-4-16)19-20-22(14-5-9-17(10-6-14)25(29)30)23(21-19)15-7-11-18(12-8-15)26(31)32;/h1-12H,(H,20,21);1H