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

Systemtic Name: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]-2-methyl-butanethioic S-acid Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]-2-methyl-butanethioic S-acid CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyanophenoxy]-2-methylbutanethioic S-acid IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyanophenoxy]-2-methylbutanethioic S-acid Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]-2-methyl-thiobutyric acid Formula: C19H15ClF3NO3S MolecularWeight: 429.84051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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/C19H15ClF3NO3S/c1-3-18(2,17(25)28)27-16-9-13(6-4-11(16)10-24)26-15-7-5-12(8-14(15)20)19(21,22)23/h4-9H,3H2,1-2H3,(H,25,28)