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

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2,6-bis(fluoranyl)benzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C18H20F2O2 MolecularWeight: 306.347006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F2O2/c1-5-7-13(4)16(11-10-12(2)3)22-18(21)17-14(19)8-6-9-15(17)20/h6,8-9,13,16H,2,5,7H2,1,3-4H3