5-nitro-1H-benzimidazol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 5-nitro-1H-benzimidazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 5-nitro-1H-benzimidazol-1-ium; trifluoromethanesulfonate CAS Name: 5-nitro-1H-benzimidazol-1-ium; trifluoromethanesulfonate IUPAC Name: 5-nitro-1H-benzimidazol-1-ium; trifluoromethanesulfonate Traditional Name: 5-nitro-1H-benzimidazol-1-ium triflate Formula: C8H6F3N3O5S MolecularWeight: 313.21055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=C[NH2+]2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C[NH2+]2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C7H5N3O2.CHF3O3S/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;2-1(3,4)8(5,6)7/h1-4H,(H,8,9);(H,5,6,7)