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

Systemtic Name: 2-methyloct-5-yn-4-yl 4-bromanylbenzoate Openeye Name: 1-isobutylpent-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 4-bromobenzoate Traditional Name: 4-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=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrO2/c1-4-5-6-15(11-12(2)3)19-16(18)13-7-9-14(17)10-8-13/h7-10,12,15H,4,11H2,1-3H3