1,7-diazido-2,3,8,9-tetranitro-benzotriazolo[2,1-a]benzotriazol-11-ium-12-ide

Systemtic Name: 1,7-diazido-2,3,8,9-tetranitro-benzotriazolo[2,1-a]benzotriazol-11-ium-12-ide Openeye Name: 1,7-diazido-2,3,8,9-tetranitro-benzotriazolo[2,1-a]benzotriazol-11-ium-12-ide CAS Name: 1,7-diazido-2,3,8,9-tetranitrobenzotriazolo[2,1-a]benzotriazol-11-ium-12-ide IUPAC Name: 1,7-diazido-2,3,8,9-tetranitrobenzotriazolo[2,1-a]benzotriazol-11-ium-12-ide Traditional Name: 1,7-diazido-2,3,8,9-tetranitro-benzotriazolo[2,1-a]benzotriazol-11-ium-12-ide Formula: C12H2N14O8 MolecularWeight: 470.23328

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-])[N-][N+]3=C4C=C(C(=C(C4=NN23)N=[N+]=[N-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C2C(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-])[N-][N+]3=C4C=C(C(=C(C4=NN23)N=[N+]=[N-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H2N14O8/c13-19-15-9-7-3(1-5(23(27)28)11(9)25(31)32)21-18-8-4(22(21)17-7)2-6(24(29)30)12(26(33)34)10(8)16-20-14/h1-2H