2,7-dimethyloct-7-en-5-yn-4-yl 3-(trifluoromethyl)benzoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 3-(trifluoromethyl)benzoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C18H19F3O2 MolecularWeight: 324.33747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3O2/c1-12(2)8-9-16(10-13(3)4)23-17(22)14-6-5-7-15(11-14)18(19,20)21/h5-7,11,13,16H,1,10H2,2-4H3