[5,5-bis(trifluoromethyl)-4H-1,2,3-triazol-1-yl] benzenesulfonate

Systemtic Name: [5,5-bis(trifluoromethyl)-4H-1,2,3-triazol-1-yl] benzenesulfonate Openeye Name: [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] benzenesulfonate CAS Name: benzenesulfonic acid [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] ester IUPAC Name: [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] ester Formula: C10H7F6N3O3S MolecularWeight: 363.236299

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=N1)OS(=O)(=O)C2=CC=CC=C2)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C(N(N=N1)OS(=O)(=O)C2=CC=CC=C2)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C10H7F6N3O3S/c11-9(12,13)8(10(14,15)16)6-17-18-19(8)22-23(20,21)7-4-2-1-3-5-7/h1-5H,6H2