[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-phenyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C19H17F3N2O3S MolecularWeight: 410.41009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C19H17F3N2O3S/c1-12-9-13(2)18(14(3)10-12)28(25,26)27-17-11-16(19(20,21)22)23-24(17)15-7-5-4-6-8-15/h4-11H,1-3H3