2-[2,3-dimethyl-4-[2-propoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2,3-dimethyl-4-[2-propoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2,3-dimethyl-4-[2-propoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2,3-dimethyl-4-[[2-propoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2,3-dimethyl-4-[2-propoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2,3-dimethyl-4-[[2-propoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]thio]phenoxy]acetic acid Formula: C27H27F3O5S MolecularWeight: 520.56049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)COC2=CC=C(C=C2)C(F)(F)F)SC3=C(C(=C(C=C3)OCC(=O)O)C)C

Isomeric SMILES

CCCOC1=C(C=CC(=C1)COC2=CC=C(C=C2)C(F)(F)F)SC3=C(C(=C(C=C3)OCC(=O)O)C)C

InChI

InChI=1S/C27H27F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h5-12,14H,4,13,15-16H2,1-3H3,(H,31,32)