1,5,6-trinitrobenzotriazole

Systemtic Name: 1,5,6-trinitrobenzotriazole Openeye Name: 1,5,6-trinitrobenzotriazole CAS Name: 1,5,6-trinitrobenzotriazole IUPAC Name: 1,5,6-trinitrobenzotriazole Traditional Name: 1,5,6-trinitrobenzotriazole Formula: C6H2N6O6 MolecularWeight: 254.11668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])N(N=N2)[N+](=O)[O-]

Isomeric SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])N(N=N2)[N+](=O)[O-]

InChI

InChI=1S/C6H2N6O6/c13-10(14)5-1-3-4(2-6(5)11(15)16)9(8-7-3)12(17)18/h1-2H