hex-4-yn-3-yl 4-bromanylbenzoate

Systemtic Name: hex-4-yn-3-yl 4-bromanylbenzoate Openeye Name: 1-ethylbut-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 1-ethylbut-2-ynyl ester Formula: C13H13BrO2 MolecularWeight: 281.14512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCC(C#CC)OC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H13BrO2/c1-3-5-12(4-2)16-13(15)10-6-8-11(14)9-7-10/h6-9,12H,4H2,1-2H3