2,3,4-trimethyl-5-nitro-1,3-thiazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,3,4-trimethyl-5-nitro-1,3-thiazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; 2,3,4-trimethyl-5-nitro-thiazol-3-ium CAS Name: trifluoromethanesulfonate; 2,3,4-trimethyl-5-nitrothiazol-3-ium IUPAC Name: trifluoromethanesulfonate; 2,3,4-trimethyl-5-nitro-1,3-thiazol-3-ium Traditional Name: 2,3,4-trimethyl-5-nitro-thiazol-3-ium triflate Formula: C7H9F3N2O5S2 MolecularWeight: 322.28197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[N+]1C)C)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(SC(=[N+]1C)C)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C6H9N2O2S.CHF3O3S/c1-4-6(8(9)10)11-5(2)7(4)3;2-1(3,4)8(5,6)7/h1-3H3;(H,5,6,7)/q+1;/p-1