4,6-dinitro-1-oxidanidyl-2-(2,4,6-trinitrophenyl)benzotriazol-1-ium

Systemtic Name: 4,6-dinitro-1-oxidanidyl-2-(2,4,6-trinitrophenyl)benzotriazol-1-ium Openeye Name: 4,6-dinitro-1-oxido-2-(2,4,6-trinitrophenyl)benzotriazol-1-ium CAS Name: 4,6-dinitro-1-oxido-2-(2,4,6-trinitrophenyl)benzotriazol-1-ium IUPAC Name: 4,6-dinitro-1-oxido-2-(2,4,6-trinitrophenyl)benzotriazol-1-ium Traditional Name: 4,6-dinitro-1-oxido-2-picryl-benzotriazol-1-ium Formula: C12H4N8O11 MolecularWeight: 436.20716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N2N=C3C(=CC(=CC3=[N+]2[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N2N=C3C(=CC(=CC3=[N+]2[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H4N8O11/c21-15-7-1-5(16(22)23)2-8(18(26)27)11(7)13-14(15)12-9(19(28)29)3-6(17(24)25)4-10(12)20(30)31/h1-4H