1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl 4-methylbenzenesulfonate Openeye Name: [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,1,1,3,3,3-hexafluoropropan-2-yl ester IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] ester Formula: C10H8F6O3S MolecularWeight: 322.224139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C10H8F6O3S/c1-6-2-4-7(5-3-6)20(17,18)19-8(9(11,12)13)10(14,15)16/h2-5,8H,1H3