4,8-diazido-2,3,9,10-tetranitro-5H-benzotriazolo[1,2-a]benzotriazol-12-ium

Systemtic Name: 4,8-diazido-2,3,9,10-tetranitro-5H-benzotriazolo[1,2-a]benzotriazol-12-ium Openeye Name: 4,8-diazido-2,3,9,10-tetranitro-5H-benzotriazolo[1,2-a]benzotriazol-12-ium CAS Name: 4,8-diazido-2,3,9,10-tetranitro-5H-benzotriazolo[1,2-a]benzotriazol-12-ium IUPAC Name: 4,8-diazido-2,3,9,10-tetranitro-5H-benzotriazolo[1,2-a]benzotriazol-12-ium Traditional Name: 4,8-diazido-2,3,9,10-tetranitro-5H-benzotriazolo[1,2-a]benzotriazol-12-ium Formula: C12H3N14O8+ MolecularWeight: 471.24122

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-])NN3[N+]2=C4C=C(C(=C(C4=N3)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-])NN3[N+]2=C4C=C(C(=C(C4=N3)N=[N+]=[N-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H3N14O8/c13-19-15-9-7-3(1-5(22(27)28)11(9)24(31)32)21-4-2-6(23(29)30)12(25(33)34)10(16-20-14)8(4)18-26(21)17-7/h1-2H,(H,17,18)/q+1