[4-chloranyl-2-(2-phenylethynyl)phenyl] 3-(trifluoromethyl)benzoate

Systemtic Name: [4-chloranyl-2-(2-phenylethynyl)phenyl] 3-(trifluoromethyl)benzoate Openeye Name: [4-chloro-2-(2-phenylethynyl)phenyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [4-chloro-2-(2-phenylethynyl)phenyl] ester IUPAC Name: [4-chloro-2-(2-phenylethynyl)phenyl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [4-chloro-2-(2-phenylethynyl)phenyl] ester Formula: C22H12ClF3O2 MolecularWeight: 400.77769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C(C=CC(=C2)Cl)OC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C(C=CC(=C2)Cl)OC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H12ClF3O2/c23-19-11-12-20(16(14-19)10-9-15-5-2-1-3-6-15)28-21(27)17-7-4-8-18(13-17)22(24,25)26/h1-8,11-14H