hex-4-yn-3-yl 2,3,4,5,6-pentakis(fluoranyl)benzoate

Systemtic Name: hex-4-yn-3-yl 2,3,4,5,6-pentakis(fluoranyl)benzoate Openeye Name: 1-ethylbut-2-ynyl 2,3,4,5,6-pentafluorobenzoate CAS Name: 2,3,4,5,6-pentafluorobenzoic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl 2,3,4,5,6-pentafluorobenzoate Traditional Name: 2,3,4,5,6-pentafluorobenzoic acid 1-ethylbut-2-ynyl ester Formula: C13H9F5O2 MolecularWeight: 292.201376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F

Isomeric SMILES

CCC(C#CC)OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C13H9F5O2/c1-3-5-6(4-2)20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h6H,4H2,1-2H3