diethyl 2-[(1E,3E,5E)-6-bromanylhexa-1,3,5-trienyl]propanedioate

Systemtic Name: diethyl 2-[(1E,3E,5E)-6-bromanylhexa-1,3,5-trienyl]propanedioate Openeye Name: diethyl 2-[(1E,3E,5E)-6-bromohexa-1,3,5-trienyl]propanedioate CAS Name: 2-[(1E,3E,5E)-6-bromohexa-1,3,5-trienyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1E,3E,5E)-6-bromohexa-1,3,5-trienyl]propanedioate Traditional Name: 2-[(1E,3E,5E)-6-bromohexa-1,3,5-trienyl]malonic acid diethyl ester Formula: C13H17BrO4 MolecularWeight: 317.17568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(/C=C/C=C/C=C/Br)C(=O)OCC

InChI

InChI=1S/C13H17BrO4/c1-3-17-12(15)11(13(16)18-4-2)9-7-5-6-8-10-14/h5-11H,3-4H2,1-2H3/b6-5+,9-7+,10-8+