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

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 2-bromanylbenzoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 2-bromobenzoate CAS Name: 2-bromobenzoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C17H19BrO2 MolecularWeight: 335.23556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C#CC(=C)C)OC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CC(C)CC(C#CC(=C)C)OC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C17H19BrO2/c1-12(2)9-10-14(11-13(3)4)20-17(19)15-7-5-6-8-16(15)18/h5-8,13-14H,1,11H2,2-4H3