2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]butanoic acid

Systemtic Name: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]butanoic acid Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]butanoic acid CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyanophenoxy]butanoic acid IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyanophenoxy]butanoic acid Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]butyric acid Formula: C18H13ClF3NO4 MolecularWeight: 399.74833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClF3NO4/c1-2-14(17(24)25)27-16-8-12(5-3-10(16)9-23)26-15-6-4-11(7-13(15)19)18(20,21)22/h3-8,14H,2H2,1H3,(H,24,25)