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

Systemtic Name: methyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]hexanoate Openeye Name: methyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]hexanoate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]hexanoic acid methyl ester IUPAC Name: methyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]hexanoate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]hexanoic acid methyl ester Formula: C21H22ClF3O4S MolecularWeight: 462.91019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClF3O4S/c1-4-5-6-17(20(26)27-2)29-18-12-14(8-10-19(18)30-3)28-16-9-7-13(11-15(16)22)21(23,24)25/h7-12,17H,4-6H2,1-3H3