2,7-dimethyloct-7-en-5-yn-4-yl 4-fluoranylbenzoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-fluoranylbenzoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C17H19FO2 MolecularWeight: 274.329963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FO2/c1-12(2)5-10-16(11-13(3)4)20-17(19)14-6-8-15(18)9-7-14/h6-9,13,16H,1,11H2,2-4H3