Molecule ID: 23651873

IUPAC Name: 2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid

Description: The molecule is a tensyuic acid that is itaconic acid which has been substituted at position 3 by a 5-(methoxycarbonyl)pentyl 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(CCCCCC(=O)OC)C(=O)O

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

InChI: InChI=1S/C12H18O6/c1-8(11(14)15)9(12(16)17)6-4-3-5-7-10(13)18-2/h9H,1,3-7H2,2H3,(H,14,15)(H,16,17)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.5