methyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]butanoate

Systemtic Name: methyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]butanoate Openeye Name: methyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]butanoate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]butanoic acid methyl ester IUPAC Name: methyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]butanoate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]butyric acid methyl ester Formula: C19H18ClF3O4S MolecularWeight: 434.85703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)SC

Isomeric SMILES

CCC(C(=O)OC)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)SC

InChI

InChI=1S/C19H18ClF3O4S/c1-4-14(18(24)25-2)27-16-10-12(6-8-17(16)28-3)26-15-7-5-11(9-13(15)20)19(21,22)23/h5-10,14H,4H2,1-3H3