prop-2-ynyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]butanoate

Systemtic Name: prop-2-ynyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]butanoate Openeye Name: prop-2-ynyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]butanoate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyanophenoxy]butanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyanophenoxy]butanoate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-cyano-phenoxy]butyric acid propargyl ester Formula: C21H15ClF3NO4 MolecularWeight: 437.79631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClF3NO4/c1-3-9-28-20(27)17(4-2)30-19-11-15(7-5-13(19)12-26)29-18-8-6-14(10-16(18)22)21(23,24)25/h1,5-8,10-11,17H,4,9H2,2H3