methyl 2-[5-[2-bromanyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]propanoate

Systemtic Name: methyl 2-[5-[2-bromanyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]propanoate Openeye Name: methyl 2-[5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]propanoate CAS Name: 2-[5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]propanoate Traditional Name: 2-[5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]propionic acid methyl ester Formula: C18H16BrF3O4S MolecularWeight: 465.28145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrF3O4S/c1-10(17(23)24-2)25-15-9-12(5-7-16(15)27-3)26-14-6-4-11(8-13(14)19)18(20,21)22/h4-10H,1-3H3