2-[3-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]-2-cyano-butanoic acid

Systemtic Name: 2-[3-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]-2-cyano-butanoic acid Openeye Name: 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-cyano-butanoic acid CAS Name: 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-cyanobutanoic acid IUPAC Name: 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-cyanobutanoic acid Traditional Name: 2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-cyano-butyric acid Formula: C18H13ClF3NO4 MolecularWeight: 399.74833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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