[4-methyl-6-(trifluoromethyl)pyridin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-6-(trifluoromethyl)pyridin-2-yl] 4-methylbenzenesulfonate Openeye Name: [4-methyl-6-(trifluoromethyl)-2-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-methyl-6-(trifluoromethyl)-2-pyridinyl] ester IUPAC Name: [4-methyl-6-(trifluoromethyl)pyridin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-methyl-6-(trifluoromethyl)-2-pyridyl] ester Formula: C14H12F3NO3S MolecularWeight: 331.31019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=N2)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=N2)C(F)(F)F)C

InChI

InChI=1S/C14H12F3NO3S/c1-9-3-5-11(6-4-9)22(19,20)21-13-8-10(2)7-12(18-13)14(15,16)17/h3-8H,1-2H3