2-methyloct-5-yn-4-yl 3-bromanylbenzoate

Systemtic Name: 2-methyloct-5-yn-4-yl 3-bromanylbenzoate Openeye Name: 1-isobutylpent-2-ynyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 1-isobutylpent-2-ynyl ester Formula: C16H19BrO2 MolecularWeight: 323.22486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrO2/c1-4-5-9-15(10-12(2)3)19-16(18)13-7-6-8-14(17)11-13/h6-8,11-12,15H,4,10H2,1-3H3