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

Systemtic Name: methyl 2-[2-butylsulfanyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]propanoate Openeye Name: methyl 2-[2-butylsulfanyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate CAS Name: 2-[2-(butylthio)-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[2-butylsulfanyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate Traditional Name: 2-[2-(butylthio)-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propionic acid methyl ester Formula: C21H22ClF3O4S MolecularWeight: 462.91019

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)OC(C)C(=O)OC

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)OC(C)C(=O)OC

InChI

InChI=1S/C21H22ClF3O4S/c1-4-5-10-30-19-9-7-15(12-18(19)28-13(2)20(26)27-3)29-17-8-6-14(11-16(17)22)21(23,24)25/h6-9,11-13H,4-5,10H2,1-3H3