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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrO2/c1-5-7-14(4)17(11-10-13(2)3)21-18(20)15-8-6-9-16(19)12-15/h6,8-9,12,14,17H,2,5,7H2,1,3-4H3