3-[2-methyl-10-phenyl-2-[3-(trifluoromethyl)phenoxy]carbonyl-decyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-methyl-10-phenyl-2-[3-(trifluoromethyl)phenoxy]carbonyl-decyl]sulfanylpropanoic acid Openeye Name: 3-[2-methyl-10-phenyl-2-[3-(trifluoromethyl)phenoxy]carbonyl-decyl]sulfanylpropanoic acid CAS Name: 3-[[2-methyl-2-[oxo-[3-(trifluoromethyl)phenoxy]methyl]-10-phenyldecyl]thio]propanoic acid IUPAC Name: 3-[2-methyl-10-phenyl-2-[3-(trifluoromethyl)phenoxy]carbonyldecyl]sulfanylpropanoic acid Traditional Name: 3-[[2-methyl-10-phenyl-2-[3-(trifluoromethyl)phenoxy]carbonyl-decyl]thio]propionic acid Formula: C28H35F3O4S MolecularWeight: 524.63531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCC1=CC=CC=C1)(CSCCC(=O)O)C(=O)OC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(CCCCCCCCC1=CC=CC=C1)(CSCCC(=O)O)C(=O)OC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C28H35F3O4S/c1-27(21-36-19-17-25(32)33,26(34)35-24-16-11-15-23(20-24)28(29,30)31)18-10-5-3-2-4-7-12-22-13-8-6-9-14-22/h6,8-9,11,13-16,20H,2-5,7,10,12,17-19,21H2,1H3,(H,32,33)