2,6-dimethylnon-1-en-3-yn-5-yl 4-fluoranylbenzoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-fluoranylbenzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C18H21FO2 MolecularWeight: 288.356543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FO2/c1-5-6-14(4)17(12-7-13(2)3)21-18(20)15-8-10-16(19)11-9-15/h8-11,14,17H,2,5-6H2,1,3-4H3