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

Systemtic Name: 1,7-diazido-2,3,9-trinitro-benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Openeye Name: 1,7-diazido-2,3,9-trinitro-benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide CAS Name: 1,7-diazido-2,3,9-trinitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide IUPAC Name: 1,7-diazido-2,3,9-trinitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Traditional Name: 1,7-diazido-2,3,9-trinitro-benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Formula: C12H3N13O6 MolecularWeight: 425.23572

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1N3N=C4C(=[N+]3[N-]2)C=C(C(=C4N=[N+]=[N-])[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1N3N=C4C(=[N+]3[N-]2)C=C(C(=C4N=[N+]=[N-])[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-])[N+](=O)[O-]

InChI

InChI=1S/C12H3N13O6/c13-19-15-5-1-4(23(26)27)2-6-9(5)17-22-7-3-8(24(28)29)12(25(30)31)11(16-20-14)10(7)18-21(6)22/h1-3H