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

Systemtic Name: methyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]heptanoate Openeye Name: methyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]heptanoate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]heptanoic acid methyl ester IUPAC Name: methyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]heptanoate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]enanthic acid methyl ester Formula: C22H24ClF3O4S MolecularWeight: 476.93677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClF3O4S/c1-4-5-6-7-18(21(27)28-2)30-19-13-15(9-11-20(19)31-3)29-17-10-8-14(12-16(17)23)22(24,25)26/h8-13,18H,4-7H2,1-3H3