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

Systemtic Name: hex-4-yn-3-yl 2,6-bis(fluoranyl)benzoate Openeye Name: 1-ethylbut-2-ynyl 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid 1-ethylbut-2-ynyl ester Formula: C13H12F2O2 MolecularWeight: 238.229986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F2O2/c1-3-6-9(4-2)17-13(16)12-10(14)7-5-8-11(12)15/h5,7-9H,4H2,1-2H3