2-methyloct-5-yn-4-yl 4-bromanylbutanoate

Systemtic Name: 2-methyloct-5-yn-4-yl 4-bromanylbutanoate Openeye Name: 1-isobutylpent-2-ynyl 4-bromobutanoate CAS Name: 4-bromobutanoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 4-bromobutanoate Traditional Name: 4-bromobutyric acid 1-isobutylpent-2-ynyl ester Formula: C13H21BrO2 MolecularWeight: 289.20864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21BrO2/c1-4-5-7-12(10-11(2)3)16-13(15)8-6-9-14/h11-12H,4,6,8-10H2,1-3H3