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

Systemtic Name: methyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-propylsulfanyl-phenoxy]propanoate Openeye Name: methyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-propylsulfanyl-phenoxy]propanoate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(propylthio)phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-propylsulfanylphenoxy]propanoate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(propylthio)phenoxy]propionic acid methyl ester Formula: C20H20ClF3O4S MolecularWeight: 448.88361

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)OC(C)C(=O)OC

Isomeric SMILES

CCCSC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)OC(C)C(=O)OC

InChI

InChI=1S/C20H20ClF3O4S/c1-4-9-29-18-8-6-14(11-17(18)27-12(2)19(25)26-3)28-16-7-5-13(10-15(16)21)20(22,23)24/h5-8,10-12H,4,9H2,1-3H3