2,7-dimethyloct-7-en-5-yn-4-yl 4-bromanylbutanoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-bromanylbutanoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 4-bromobutanoate CAS Name: 4-bromobutanoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-bromobutanoate Traditional Name: 4-bromobutyric acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C14H21BrO2 MolecularWeight: 301.21934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrO2/c1-11(2)7-8-13(10-12(3)4)17-14(16)6-5-9-15/h12-13H,1,5-6,9-10H2,2-4H3