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

Systemtic Name: 3-methylsulfonyl-1-oxidanidyl-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium Openeye Name: 3-methylsulfonyl-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium CAS Name: 3-methylsulfonyl-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium IUPAC Name: 3-methylsulfonyl-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium Traditional Name: 3-mesyl-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium Formula: C9H6F3N3O3S MolecularWeight: 293.22245

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)[N+](=N1)[O-]

Isomeric SMILES

CS(=O)(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)[N+](=N1)[O-]

InChI

InChI=1S/C9H6F3N3O3S/c1-19(17,18)8-13-6-3-2-5(9(10,11)12)4-7(6)15(16)14-8/h2-4H,1H3