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

Systemtic Name: [5-methyl-5-(trifluoromethyl)-4H-1,2,3-triazol-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-methyl-5-(trifluoromethyl)-4H-triazol-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-methyl-5-(trifluoromethyl)-4H-triazol-1-yl] ester IUPAC Name: [5-methyl-5-(trifluoromethyl)-4H-triazol-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-methyl-5-(trifluoromethyl)-4H-triazol-1-yl] ester Formula: C11H12F3N3O3S MolecularWeight: 323.29149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(CN=N2)(C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(CN=N2)(C)C(F)(F)F

InChI

InChI=1S/C11H12F3N3O3S/c1-8-3-5-9(6-4-8)21(18,19)20-17-10(2,7-15-16-17)11(12,13)14/h3-6H,7H2,1-2H3