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

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-bromanylbenzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C18H21BrO2 MolecularWeight: 349.26214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrO2/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