hex-4-yn-3-yl 6-bromanylhexanoate

Systemtic Name: hex-4-yn-3-yl 6-bromanylhexanoate Openeye Name: 1-ethylbut-2-ynyl 6-bromohexanoate CAS Name: 6-bromohexanoic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl 6-bromohexanoate Traditional Name: 6-bromohexanoic acid 1-ethylbut-2-ynyl ester Formula: C12H19BrO2 MolecularWeight: 275.18206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19BrO2/c1-3-8-11(4-2)15-12(14)9-6-5-7-10-13/h11H,4-7,9-10H2,1-2H3