2,6-dimethylnon-1-en-3-yn-5-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C21H23F3O2 MolecularWeight: 364.40133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3O2/c1-5-7-16(4)19(12-10-15(2)3)26-20(25)13-11-17-8-6-9-18(14-17)21(22,23)24/h6,8-9,11,13-14,16,19H,2,5,7H2,1,3-4H3/b13-11+