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

Systemtic Name: 3-[2-tert-butyl-10-phenyl-2-[3-(trifluoromethyl)phenoxy]carbonyl-decyl]sulfanylpropanoic acid Openeye Name: 3-[2-tert-butyl-10-phenyl-2-[3-(trifluoromethyl)phenoxy]carbonyl-decyl]sulfanylpropanoic acid CAS Name: 3-[[2-tert-butyl-2-[oxo-[3-(trifluoromethyl)phenoxy]methyl]-10-phenyldecyl]thio]propanoic acid IUPAC Name: 3-[2-tert-butyl-10-phenyl-2-[3-(trifluoromethyl)phenoxy]carbonyldecyl]sulfanylpropanoic acid Traditional Name: 3-[[2-tert-butyl-10-phenyl-2-[3-(trifluoromethyl)phenoxy]carbonyl-decyl]thio]propionic acid Formula: C31H41F3O4S MolecularWeight: 566.71505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41F3O4S/c1-29(2,3)30(23-39-21-19-27(35)36,28(37)38-26-18-13-17-25(22-26)31(32,33)34)20-12-7-5-4-6-9-14-24-15-10-8-11-16-24/h8,10-11,13,15-18,22H,4-7,9,12,14,19-21,23H2,1-3H3,(H,35,36)