[(3S)-4,4,4-tris(fluoranyl)-3-methyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-4,4,4-tris(fluoranyl)-3-methyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(3S)-4,4,4-trifluoro-3-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-4,4,4-trifluoro-3-methylbutyl] ester IUPAC Name: [(3S)-4,4,4-trifluoro-3-methylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-4,4,4-trifluoro-3-methyl-butyl] ester Formula: C12H15F3O3S MolecularWeight: 296.30591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H](C)C(F)(F)F

InChI

InChI=1S/C12H15F3O3S/c1-9-3-5-11(6-4-9)19(16,17)18-8-7-10(2)12(13,14)15/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1