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

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 6-bromanylhexanoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 6-bromohexanoate CAS Name: 6-bromohexanoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 6-bromohexanoate Traditional Name: 6-bromohexanoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C17H27BrO2 MolecularWeight: 343.29908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27BrO2/c1-5-9-15(4)16(12-11-14(2)3)20-17(19)10-7-6-8-13-18/h15-16H,2,5-10,13H2,1,3-4H3