Compound Identification
SMILES
OC(CC1=CC(I)=C(O)C(I)=C1)C(O)=O
InChIKey
InChIKey=ZPJHINFPRQWKIH-UHFFFAOYSA-N
Formula
C9H8I2O4
Mass
433.968
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
O-iodophenols Iodobenzenes Aryl iodides Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - 2-halophenol - 2-iodophenol - Halobenzene - Iodobenzene - Phenol - Benzenoid - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Hydroxy acid - Alpha-hydroxy acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organoiodide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
CHEBI:16122 : organoiodine compound - phenols - 2-hydroxy monocarboxylic acid