2,6-dimethylnon-1-en-3-yn-5-yl 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2,2,2-tris(chloranyl)ethanoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C13H17Cl3O2 MolecularWeight: 311.63188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl3O2/c1-5-6-10(4)11(8-7-9(2)3)18-12(17)13(14,15)16/h10-11H,2,5-6H2,1,3-4H3