1-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanesulfonic acid

Systemtic Name: 1-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanesulfonic acid Openeye Name: 1-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanesulfonic acid CAS Name: 1-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanesulfonic acid IUPAC Name: 1-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanesulfonic acid Traditional Name: 1-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanesulfonic acid Formula: C5H6F3N3O3S MolecularWeight: 245.17965

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NN=C1C(F)(F)F)S(=O)(=O)O

Isomeric SMILES

CC(N1C=NN=C1C(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C5H6F3N3O3S/c1-3(15(12,13)14)11-2-9-10-4(11)5(6,7)8/h2-3H,1H3,(H,12,13,14)