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

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 3-chloranylpropanoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 3-chloropropanoate CAS Name: 3-chloropropanoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 3-chloropropanoate Traditional Name: 3-chloropropionic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C14H21ClO2 MolecularWeight: 256.76834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClO2/c1-5-6-12(4)13(8-7-11(2)3)17-14(16)9-10-15/h12-13H,2,5-6,9-10H2,1,3-4H3