3,9-bis(chloranyl)-1,7-dinitro-benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide

Systemtic Name: 3,9-bis(chloranyl)-1,7-dinitro-benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Openeye Name: 3,9-dichloro-1,7-dinitro-benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide CAS Name: 3,9-dichloro-1,7-dinitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide IUPAC Name: 3,9-dichloro-1,7-dinitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Traditional Name: 3,9-dichloro-1,7-dinitro-benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Formula: C12H4Cl2N6O4 MolecularWeight: 367.10396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H4Cl2N6O4/c13-5-1-7-11(9(3-5)19(21)22)15-18-8-2-6(14)4-10(20(23)24)12(8)16-17(7)18/h1-4H