2-[2-methyl-4-[2-propyl-2-[[4-(trifluoromethyl)phenoxy]methyl]pentyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[2-propyl-2-[[4-(trifluoromethyl)phenoxy]methyl]pentyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[2-propyl-2-[[4-(trifluoromethyl)phenoxy]methyl]pentyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[[2-propyl-2-[[4-(trifluoromethyl)phenoxy]methyl]pentyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[2-propyl-2-[[4-(trifluoromethyl)phenoxy]methyl]pentyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[[2-propyl-2-[[4-(trifluoromethyl)phenoxy]methyl]pentyl]thio]phenoxy]acetic acid Formula: C25H31F3O4S MolecularWeight: 484.57145

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC(=C(C=C2)OCC(=O)O)C

Isomeric SMILES

CCCC(CCC)(COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC(=C(C=C2)OCC(=O)O)C

InChI

InChI=1S/C25H31F3O4S/c1-4-12-24(13-5-2,16-32-20-8-6-19(7-9-20)25(26,27)28)17-33-21-10-11-22(18(3)14-21)31-15-23(29)30/h6-11,14H,4-5,12-13,15-17H2,1-3H3,(H,29,30)