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2-[4-[3-[4-[4-[3-[4-(carboxymethyloxy)phenyl]sulfanylpropyl]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]propylsulfanyl]phenoxy]ethanoic acid
2-[4-[3-[4-[4-[3-[4-(carboxymethyloxy)phenyl]sulfanylpropyl]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]propylsulfanyl]phenoxy]ethanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC(=CC=C1OCC(=O)O)SCCCC2=C(C=C(C=C2)C3=CC(=C(C=C3)CCCSC4=CC=C(C=C4)OCC(=O)O)C(F)(F)F)C(F)(F)F
Isomeric SMILES
C1=CC(=CC=C1OCC(=O)O)SCCCC2=C(C=C(C=C2)C3=CC(=C(C=C3)CCCSC4=CC=C(C=C4)OCC(=O)O)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C36H32F6O6S2/c37-35(38,39)31-19-25(7-5-23(31)3-1-17-49-29-13-9-27(10-14-29)47-21-33(43)44)26-8-6-24(32(20-26)36(40,41)42)4-2-18-50-30-15-11-28(12-16-30)48-22-34(45)46/h5-16,19-20H,1-4,17-18,21-22H2,(H,43,44)(H,45,46)
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