[3-(trifluoromethyl)phenyl] 1H-1,2,4-triazole-5-sulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 1H-1,2,4-triazole-5-sulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 1H-1,2,4-triazole-5-sulfonate CAS Name: 1H-1,2,4-triazole-5-sulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 1H-1,2,4-triazole-5-sulfonate Traditional Name: 1H-1,2,4-triazole-5-sulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C9H6F3N3O3S MolecularWeight: 293.22245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=NC=NN2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=NC=NN2)C(F)(F)F

InChI

InChI=1S/C9H6F3N3O3S/c10-9(11,12)6-2-1-3-7(4-6)18-19(16,17)8-13-5-14-15-8/h1-5H,(H,13,14,15)