methanetrisulfonyl fluoride; 1H-1,2,4-triazole; 4H-1,2,4-triazol-4-ium

Systemtic Name: methanetrisulfonyl fluoride; 1H-1,2,4-triazole; 4H-1,2,4-triazol-4-ium Openeye Name: methanetrisulfonyl fluoride; 1H-1,2,4-triazole; 4H-1,2,4-triazol-4-ium CAS Name: methanetrisulfonyl fluoride; 1H-1,2,4-triazole; 4H-1,2,4-triazol-4-ium IUPAC Name: methanetrisulfonyl fluoride; 1H-1,2,4-triazole; 4H-1,2,4-triazol-4-ium Traditional Name: methanetrisulfonyl fluoride; 1H-1,2,4-triazole; 4H-1,2,4-triazol-4-ium Formula: C5H7F3N6O6S3 MolecularWeight: 400.33589

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN=C[NH2+]1.C1=NC=NN1.[C-](S(=O)(=O)F)(S(=O)(=O)F)S(=O)(=O)F

Isomeric SMILES

C1=NN=C[NH2+]1.C1=NC=NN1.[C-](S(=O)(=O)F)(S(=O)(=O)F)S(=O)(=O)F

InChI

InChI=1S/2C2H3N3.CF3O6S3/c2*1-3-2-5-4-1;2-11(5,6)1(12(3,7)8)13(4,9)10/h2*1-2H,(H,3,4,5);/q;;-1/p+1