dimethyl 2-(2-ethenylidene-1-phenyl-octyl)propanedioate

Systemtic Name: dimethyl 2-(2-ethenylidene-1-phenyl-octyl)propanedioate Openeye Name: dimethyl 2-(1-phenyl-2-vinylidene-octyl)propanedioate CAS Name: 2-(2-ethenylidene-1-phenyloctyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-ethenylidene-1-phenyloctyl)propanedioate Traditional Name: 2-(2-hexyl-1-phenyl-buta-2,3-dienyl)malonic acid dimethyl ester Formula: C21H28O4 MolecularWeight: 344.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=C=C)C(C1=CC=CC=C1)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCC(=C=C)C(C1=CC=CC=C1)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H28O4/c1-5-7-8-10-13-16(6-2)18(17-14-11-9-12-15-17)19(20(22)24-3)21(23)25-4/h9,11-12,14-15,18-19H,2,5,7-8,10,13H2,1,3-4H3