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

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 5-bromanylpentanoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 5-bromopentanoate CAS Name: 5-bromopentanoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 5-bromopentanoate Traditional Name: 5-bromovaleric acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C16H25BrO2 MolecularWeight: 329.2725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25BrO2/c1-5-8-14(4)15(11-10-13(2)3)19-16(18)9-6-7-12-17/h14-15H,2,5-9,12H2,1,3-4H3