[(2S,3R)-1,1,1-tris(fluoranyl)-6-methyl-3-(4-methylphenyl)sulfinyl-hept-5-en-2-yl] benzoate

Systemtic Name: [(2S,3R)-1,1,1-tris(fluoranyl)-6-methyl-3-(4-methylphenyl)sulfinyl-hept-5-en-2-yl] benzoate Openeye Name: [(1S,2R)-5-methyl-2-(p-tolylsulfinyl)-1-(trifluoromethyl)hex-4-enyl] benzoate CAS Name: benzoic acid [(2S,3R)-1,1,1-trifluoro-6-methyl-3-(4-methylphenyl)sulfinylhept-5-en-2-yl] ester IUPAC Name: [(2S,3R)-1,1,1-trifluoro-6-methyl-3-(4-methylphenyl)sulfinylhept-5-en-2-yl] benzoate Traditional Name: benzoic acid [(1S,2R)-5-methyl-2-(p-tolylsulfinyl)-1-(trifluoromethyl)hex-4-enyl] ester Formula: C22H23F3O3S MolecularWeight: 424.47643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(CC=C(C)C)C(C(F)(F)F)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)[C@H](CC=C(C)C)[C@H](C(F)(F)F)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H23F3O3S/c1-15(2)9-14-19(29(27)18-12-10-16(3)11-13-18)20(22(23,24)25)28-21(26)17-7-5-4-6-8-17/h4-13,19-20H,14H2,1-3H3/t19-,20-,29?/m1/s1