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

Systemtic Name: 2-methyloct-5-yn-4-yl 2,6-bis(fluoranyl)benzoate Openeye Name: 1-isobutylpent-2-ynyl 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid 1-isobutylpent-2-ynyl ester Formula: C16H18F2O2 MolecularWeight: 280.309726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F2O2/c1-4-5-7-12(10-11(2)3)20-16(19)15-13(17)8-6-9-14(15)18/h6,8-9,11-12H,4,10H2,1-3H3