(1-bromanyl-5,5-dimethyl-non-2-yn-4-yl) ethanoate

Systemtic Name: (1-bromanyl-5,5-dimethyl-non-2-yn-4-yl) ethanoate Openeye Name: [1-(3-bromoprop-1-ynyl)-2,2-dimethyl-hexyl] acetate CAS Name: acetic acid (1-bromo-5,5-dimethylnon-2-yn-4-yl) ester IUPAC Name: (1-bromo-5,5-dimethylnon-2-yn-4-yl) acetate Traditional Name: acetic acid [4-bromo-1-(1,1-dimethylpentyl)but-2-ynyl] ester Formula: C13H21BrO2 MolecularWeight: 289.20864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C#CCBr)OC(=O)C

Isomeric SMILES

CCCCC(C)(C)C(C#CCBr)OC(=O)C

InChI

InChI=1S/C13H21BrO2/c1-5-6-9-13(3,4)12(8-7-10-14)16-11(2)15/h12H,5-6,9-10H2,1-4H3