Compound Identification
SMILES
CCOC(=O)C(F)C(\C(=O)OCC)=C(\C#N)C(=O)OCC
InChIKey
InChIKey=LKWIHGRAKVPKMK-CMDGGOBGSA-N
Formula
C13H16FNO6
Mass
301.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tricarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Fatty acid esters Enoate esters Alpha-halocarboxylic acid derivatives Nitriles Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carbonitrile - Nitrile - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors
Not available