4-nitro-1-oxidanidyl-6-(trifluoromethylsulfonyl)-2H-benzimidazol-1-ium

Systemtic Name: 4-nitro-1-oxidanidyl-6-(trifluoromethylsulfonyl)-2H-benzimidazol-1-ium Openeye Name: 4-nitro-1-oxido-6-(trifluoromethylsulfonyl)-2H-benzimidazol-1-ium CAS Name: 4-nitro-1-oxido-6-(trifluoromethylsulfonyl)-2H-benzimidazol-1-ium IUPAC Name: 4-nitro-1-oxido-6-(trifluoromethylsulfonyl)-2H-benzimidazol-1-ium Traditional Name: 4-nitro-1-oxido-6-triflyl-2H-benzimidazol-1-ium Formula: C8H4F3N3O5S MolecularWeight: 311.19467

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C2C(=CC(=CC2=[N+]1[O-])S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1N=C2C(=CC(=CC2=[N+]1[O-])S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C8H4F3N3O5S/c9-8(10,11)20(18,19)4-1-5-7(12-3-13(5)15)6(2-4)14(16)17/h1-2H,3H2