2,6-dimethylnon-1-en-3-yn-5-yl 4-bromanylbutanoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-bromanylbutanoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 4-bromobutanoate CAS Name: 4-bromobutanoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-bromobutanoate Traditional Name: 4-bromobutyric acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C15H23BrO2 MolecularWeight: 315.24592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrO2/c1-5-7-13(4)14(10-9-12(2)3)18-15(17)8-6-11-16/h13-14H,2,5-8,11H2,1,3-4H3