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

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-butylbenzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C22H30O2 MolecularWeight: 326.4724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC(C#CC(=C)C)C(C)CCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC(C#CC(=C)C)C(C)CCC

InChI

InChI=1S/C22H30O2/c1-6-8-10-19-12-14-20(15-13-19)22(23)24-21(16-11-17(3)4)18(5)9-7-2/h12-15,18,21H,3,6-10H2,1-2,4-5H3