2,7-dimethyloct-7-en-5-yn-4-yl 6-bromanylhexanoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 6-bromanylhexanoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 6-bromohexanoate CAS Name: 6-bromohexanoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 6-bromohexanoate Traditional Name: 6-bromohexanoic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C16H25BrO2 MolecularWeight: 329.2725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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