Molecule ID: 638144

IUPAC Name: diethyl (E)-but-2-enedioate

Description: The molecule is a dieter obtained by the formal condensation of fumaric acid with ethanol. It has a role as a metabolite. It derives from a fumaric acid.

SMILES: CCOC(=O)/C=C/C(=O)OCC

SELFIES: [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][O][C][C]

InChI: InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 0.9