3,9-diazido-1,7-dinitro-benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide

Systemtic Name: 3,9-diazido-1,7-dinitro-benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Openeye Name: 3,9-diazido-1,7-dinitro-benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide CAS Name: 3,9-diazido-1,7-dinitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide IUPAC Name: 3,9-diazido-1,7-dinitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Traditional Name: 3,9-diazido-1,7-dinitro-benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Formula: C12H4N12O4 MolecularWeight: 380.23816

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1N3N=C4C(=CC(=CC4=[N+]3[N-]2)N=[N+]=[N-])[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-]

Isomeric SMILES

C1=C(C=C(C2=C1N3N=C4C(=CC(=CC4=[N+]3[N-]2)N=[N+]=[N-])[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C12H4N12O4/c13-19-15-5-1-7-11(9(3-5)23(25)26)17-22-8-2-6(16-20-14)4-10(24(27)28)12(8)18-21(7)22/h1-4H