2,7-dimethyloct-7-en-5-yn-4-yl 3-chloranylpropanoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 3-chloranylpropanoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 3-chloropropanoate CAS Name: 3-chloropropanoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 3-chloropropanoate Traditional Name: 3-chloropropionic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C13H19ClO2 MolecularWeight: 242.74176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClO2/c1-10(2)5-6-12(9-11(3)4)16-13(15)7-8-14/h11-12H,1,7-9H2,2-4H3