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

Systemtic Name: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]-2-methyl-propanethioic S-acid Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]-2-methyl-propanethioic S-acid CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyanophenoxy]-2-methylpropanethioic S-acid IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyanophenoxy]-2-methylpropanethioic S-acid Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]-2-methyl-thiopropionic acid Formula: C18H13ClF3NO3S MolecularWeight: 415.81393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClF3NO3S/c1-17(2,16(24)27)26-15-8-12(5-3-10(15)9-23)25-14-6-4-11(7-13(14)19)18(20,21)22/h3-8H,1-2H3,(H,24,27)