Compound Identification
SMILES
OC(=O)C(O)=CC1=CC(I)=C(O)C(I)=C1
InChIKey
InChIKey=PLTUQTHBNJYEKL-UHFFFAOYSA-N
Formula
C9H6I2O4
Mass
431.952
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpyruvic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyruvic acid derivatives
Alternative Parents
Hydroxycinnamic acids Coumaric acids Cinnamic acids O-iodophenols Iodobenzenes Aryl iodides Monocarboxylic acids and derivatives Enols Carboxylic acids Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid - Cinnamic acid or derivatives - Coumaric acid - Coumaric acid or derivatives - Hydroxycinnamic acid - Hydroxycinnamic acid or derivatives - Enol-phenylpyruvate - 2-iodophenol - 2-halophenol - Phenol - Iodobenzene - Halobenzene - Aryl halide - Aryl iodide - Monocarboxylic acid or derivatives - Carboxylic acid - Enol - Carboxylic acid derivative - Organic oxygen compound - Organoiodide - Organooxygen compound - Organohalogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
External Descriptors
Not available