2,6-dimethylnon-1-en-3-yn-5-yl furan-2-carboxylate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl furan-2-carboxylate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C#CC(=C)C)OC(=O)C1=CC=CO1

Isomeric SMILES

CCCC(C)C(C#CC(=C)C)OC(=O)C1=CC=CO1

InChI

InChI=1S/C16H20O3/c1-5-7-13(4)14(10-9-12(2)3)19-16(17)15-8-6-11-18-15/h6,8,11,13-14H,2,5,7H2,1,3-4H3