[2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: [2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: [2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid [2-methyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid [2-methyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C13H7F9N2O3S MolecularWeight: 442.256909

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(F)(F)F)OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=CC(=N1)C(F)(F)F)OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H7F9N2O3S/c1-24-10(5-9(23-24)13(20,21)22)27-28(25,26)8-3-6(11(14,15)16)2-7(4-8)12(17,18)19/h2-5H,1H3