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

Systemtic Name: [4-methyl-5,5-bis(trifluoromethyl)-4H-1,2,3-triazol-1-yl] 4-methylbenzenesulfonate Openeye Name: [4-methyl-5,5-bis(trifluoromethyl)-4H-triazol-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-methyl-5,5-bis(trifluoromethyl)-4H-triazol-1-yl] ester IUPAC Name: [4-methyl-5,5-bis(trifluoromethyl)-4H-triazol-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-methyl-5,5-bis(trifluoromethyl)-4H-triazol-1-yl] ester Formula: C12H11F6N3O3S MolecularWeight: 391.289459

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(N=N1)OS(=O)(=O)C2=CC=C(C=C2)C)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1C(N(N=N1)OS(=O)(=O)C2=CC=C(C=C2)C)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H11F6N3O3S/c1-7-3-5-9(6-4-7)25(22,23)24-21-10(11(13,14)15,12(16,17)18)8(2)19-20-21/h3-6,8H,1-2H3