2,6-dimethylnon-1-en-3-yn-5-yl 2,3,4,5,6-pentakis(fluoranyl)benzoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2,3,4,5,6-pentakis(fluoranyl)benzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 2,3,4,5,6-pentafluorobenzoate CAS Name: 2,3,4,5,6-pentafluorobenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2,3,4,5,6-pentafluorobenzoate Traditional Name: 2,3,4,5,6-pentafluorobenzoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C18H17F5O2 MolecularWeight: 360.318396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F5O2/c1-5-6-10(4)11(8-7-9(2)3)25-18(24)12-13(19)15(21)17(23)16(22)14(12)20/h10-11H,2,5-6H2,1,3-4H3