diethyl 2-(4-bromanylbut-3-ynyl)-2-[(2E)-penta-2,4-dienyl]propanedioate

Systemtic Name: diethyl 2-(4-bromanylbut-3-ynyl)-2-[(2E)-penta-2,4-dienyl]propanedioate Openeye Name: diethyl 2-(4-bromobut-3-ynyl)-2-[(2E)-penta-2,4-dienyl]propanedioate CAS Name: 2-(4-bromobut-3-ynyl)-2-[(2E)-penta-2,4-dienyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-bromobut-3-ynyl)-2-[(2E)-penta-2,4-dienyl]propanedioate Traditional Name: 2-(4-bromobut-3-ynyl)-2-[(2E)-penta-2,4-dienyl]malonic acid diethyl ester Formula: C16H21BrO4 MolecularWeight: 357.23954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC#CBr)(CC=CC=C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC#CBr)(C/C=C/C=C)C(=O)OCC

InChI

InChI=1S/C16H21BrO4/c1-4-7-8-11-16(12-9-10-13-17,14(18)20-5-2)15(19)21-6-3/h4,7-8H,1,5-6,9,11-12H2,2-3H3/b8-7+