2,6-dimethylnon-1-en-3-yn-5-yl 4-ethylbenzoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-ethylbenzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C20H26O2 MolecularWeight: 298.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O2/c1-6-8-16(5)19(14-9-15(3)4)22-20(21)18-12-10-17(7-2)11-13-18/h10-13,16,19H,3,6-8H2,1-2,4-5H3