2-methyloct-5-yn-4-yl 4-(trifluoromethyl)benzoate

Systemtic Name: 2-methyloct-5-yn-4-yl 4-(trifluoromethyl)benzoate Openeye Name: 1-isobutylpent-2-ynyl 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid 1-isobutylpent-2-ynyl ester Formula: C17H19F3O2 MolecularWeight: 312.32677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3O2/c1-4-5-6-15(11-12(2)3)22-16(21)13-7-9-14(10-8-13)17(18,19)20/h7-10,12,15H,4,11H2,1-3H3