3-chloranyl-1-oxidanidyl-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium

Systemtic Name: 3-chloranyl-1-oxidanidyl-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium Openeye Name: 3-chloro-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium CAS Name: 3-chloro-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium IUPAC Name: 3-chloro-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium Traditional Name: 3-chloro-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium Formula: C8H3ClF3N3O MolecularWeight: 249.57713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)[N+](=NC(=N2)Cl)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)[N+](=NC(=N2)Cl)[O-]

InChI

InChI=1S/C8H3ClF3N3O/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)15(16)14-7/h1-3H