Molecule ID: 637568

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

Description: The molecule is an enoate ester resulting from the formal condensation of both carboxy groups of fumaric acid with methanol. Used for treatment of adults with relapsing forms of multiple sclerosis. It has a role as an immunomodulator and an antipsoriatic. It is an enoate ester, a methyl ester and a diester. It derives from a methanol and a fumaric acid.

SMILES: COC(=O)/C=C/C(=O)OC

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

InChI: InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 0.7