hex-4-yn-3-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: hex-4-yn-3-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: 1-ethylbut-2-ynyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid 1-ethylbut-2-ynyl ester Formula: C16H15F3O2 MolecularWeight: 296.28431

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC(=O)C=CC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CCC(C#CC)OC(=O)/C=C/C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C16H15F3O2/c1-3-6-14(4-2)21-15(20)10-9-12-7-5-8-13(11-12)16(17,18)19/h5,7-11,14H,4H2,1-2H3/b10-9+