2,6-dimethylnon-1-en-3-yn-5-yl hexanoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl hexanoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] hexanoate CAS Name: hexanoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl hexanoate Traditional Name: hexanoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C17H28O2 MolecularWeight: 264.40302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C#CC(=C)C)C(C)CCC

Isomeric SMILES

CCCCCC(=O)OC(C#CC(=C)C)C(C)CCC

InChI

InChI=1S/C17H28O2/c1-6-8-9-11-17(18)19-16(13-12-14(3)4)15(5)10-7-2/h15-16H,3,6-11H2,1-2,4-5H3