1-(3-phenoxyphenyl)prop-2-ynyl (E)-5-chloranyl-3-(trifluoromethyl)hex-4-enoate

Systemtic Name: 1-(3-phenoxyphenyl)prop-2-ynyl (E)-5-chloranyl-3-(trifluoromethyl)hex-4-enoate Openeye Name: 1-(3-phenoxyphenyl)prop-2-ynyl (E)-5-chloro-3-(trifluoromethyl)hex-4-enoate CAS Name: (E)-5-chloro-3-(trifluoromethyl)-4-hexenoic acid 1-(3-phenoxyphenyl)prop-2-ynyl ester IUPAC Name: 1-(3-phenoxyphenyl)prop-2-ynyl (E)-5-chloro-3-(trifluoromethyl)hex-4-enoate Traditional Name: (E)-5-chloro-3-(trifluoromethyl)hex-4-enoic acid 1-(3-phenoxyphenyl)prop-2-ynyl ester Formula: C22H18ClF3O3 MolecularWeight: 422.82473

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(CC(=O)OC(C#C)C1=CC(=CC=C1)OC2=CC=CC=C2)C(F)(F)F)Cl

Isomeric SMILES

C/C(=C\C(CC(=O)OC(C#C)C1=CC(=CC=C1)OC2=CC=CC=C2)C(F)(F)F)/Cl

InChI

InChI=1S/C22H18ClF3O3/c1-3-20(29-21(27)14-17(12-15(2)23)22(24,25)26)16-8-7-11-19(13-16)28-18-9-5-4-6-10-18/h1,4-13,17,20H,14H2,2H3/b15-12+