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

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl octanoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] octanoate CAS Name: octanoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl octanoate Traditional Name: caprylic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C19H32O2 MolecularWeight: 292.45618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32O2/c1-6-8-9-10-11-13-19(20)21-18(15-14-16(3)4)17(5)12-7-2/h17-18H,3,6-13H2,1-2,4-5H3