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

Systemtic Name: 2-methyloct-5-yn-4-yl 2,3,4,5,6-pentakis(fluoranyl)benzoate Openeye Name: 1-isobutylpent-2-ynyl 2,3,4,5,6-pentafluorobenzoate CAS Name: 2,3,4,5,6-pentafluorobenzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 2,3,4,5,6-pentafluorobenzoate Traditional Name: 2,3,4,5,6-pentafluorobenzoic acid 1-isobutylpent-2-ynyl ester Formula: C16H15F5O2 MolecularWeight: 334.281116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F5O2/c1-4-5-6-9(7-8(2)3)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h8-9H,4,7H2,1-3H3