methyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-hexylsulfanyl-phenoxy]propanoate

Systemtic Name: methyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-hexylsulfanyl-phenoxy]propanoate Openeye Name: methyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hexylsulfanyl-phenoxy]propanoate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(hexylthio)phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hexylsulfanylphenoxy]propanoate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(hexylthio)phenoxy]propionic acid methyl ester Formula: C23H26ClF3O4S MolecularWeight: 490.96335

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)OC(C)C(=O)OC

Isomeric SMILES

CCCCCCSC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)OC(C)C(=O)OC

InChI

InChI=1S/C23H26ClF3O4S/c1-4-5-6-7-12-32-21-11-9-17(14-20(21)30-15(2)22(28)29-3)31-19-10-8-16(13-18(19)24)23(25,26)27/h8-11,13-15H,4-7,12H2,1-3H3