2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]propanethioic S-acid

Systemtic Name: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]propanethioic S-acid Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]propanethioic S-acid CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]propanethioic S-acid IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]propanethioic S-acid Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]thiopropionic acid Formula: C17H14ClF3O3S2 MolecularWeight: 422.86947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClF3O3S2/c1-9(16(22)25)23-14-8-11(4-6-15(14)26-2)24-13-5-3-10(7-12(13)18)17(19,20)21/h3-9H,1-2H3,(H,22,25)