4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid

Systemtic Name: 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid Openeye Name: 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid CAS Name: 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid IUPAC Name: 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid Traditional Name: 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonic acid Formula: C4H4F3N3O3S MolecularWeight: 231.15307

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C4H4F3N3O3S/c1-10-2(4(5,6)7)8-9-3(10)14(11,12)13/h1H3,(H,11,12,13)