Molecule ID: 23652018

IUPAC Name: 2-(8-methoxy-8-oxooctyl)-3-methylidenebutanedioic acid

Description: The molecule is a tensyuic acid that is itaconic acid which has been substituted at position 3 by a 7-(methoxycarbonyl)heptanyl group. The (+)-isomer, isolated from Aspergillus niger FKI-2342. It has a role as an Aspergillus metabolite. It is a tensyuic acid, a methyl ester and a dicarboxylic acid.

SMILES: C=C(C(=O)O)C(CCCCCCCC(=O)OC)C(=O)O

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

InChI: InChI=1S/C14H22O6/c1-10(13(16)17)11(14(18)19)8-6-4-3-5-7-9-12(15)20-2/h11H,1,3-9H2,2H3,(H,16,17)(H,18,19)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 2.6