[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-methyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C12H11F3N2O3S MolecularWeight: 320.28755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NN(C(=C2)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NN(C(=C2)C(F)(F)F)C

InChI

InChI=1S/C12H11F3N2O3S/c1-8-3-5-9(6-4-8)21(18,19)20-11-7-10(12(13,14)15)17(2)16-11/h3-7H,1-2H3