Molecule ID: 23652019

IUPAC Name: 2-(4-ethoxy-4-oxobutyl)-3-methylidenebutanedioic acid

Description: The molecule is a tensyuic acid that is itaconic acid which has been substituted at position 3 by a 3-(ethoxycarbonyl)propyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342. It has a role as an Aspergillus metabolite. It is a tensyuic acid, an ethyl ester and a dicarboxylic acid.

SMILES: C=C(C(=O)O)C(CCCC(=O)OCC)C(=O)O

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

InChI: InChI=1S/C11H16O6/c1-3-17-9(12)6-4-5-8(11(15)16)7(2)10(13)14/h8H,2-6H2,1H3,(H,13,14)(H,15,16)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 0.8