2,7-dimethyloct-7-en-5-yn-4-yl 4-butylbenzoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-butylbenzoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O2/c1-6-7-8-18-10-12-19(13-11-18)21(22)23-20(15-17(4)5)14-9-16(2)3/h10-13,17,20H,2,6-8,15H2,1,3-5H3