dimethyl 2-(4-bromanylbut-2-ynyl)-2-(3-phenylprop-2-ynyl)propanedioate

Systemtic Name: dimethyl 2-(4-bromanylbut-2-ynyl)-2-(3-phenylprop-2-ynyl)propanedioate Openeye Name: dimethyl 2-(4-bromobut-2-ynyl)-2-(3-phenylprop-2-ynyl)propanedioate CAS Name: 2-(4-bromobut-2-ynyl)-2-(3-phenylprop-2-ynyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-bromobut-2-ynyl)-2-(3-phenylprop-2-ynyl)propanedioate Traditional Name: 2-(4-bromobut-2-ynyl)-2-(3-phenylprop-2-ynyl)malonic acid dimethyl ester Formula: C18H17BrO4 MolecularWeight: 377.22918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CCBr)(CC#CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(CC#CCBr)(CC#CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C18H17BrO4/c1-22-16(20)18(17(21)23-2,12-6-7-14-19)13-8-11-15-9-4-3-5-10-15/h3-5,9-10H,12-14H2,1-2H3