Compound Identification
SMILES
CC1=CC=C(CCC(CC(C(O)=O)P(O)(O)=O)(C(O)=O)P(O)(O)=O)C=C1.OC(=O)C(CC(CC1=CC(Cl)=C(Cl)C=C1)(C(O)=O)P(O)(O)=O)P(O)(O)=O
InChIKey
InChIKey=PDEGPBSRUMSLTK-UHFFFAOYSA-N
Formula
C26H34Cl2O20P4
Mass
861.33
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
Medium-chain fatty acids Dichlorobenzenes Toluenes Dicarboxylic acids and derivatives Aryl chlorides Organic phosphonic acids Carboxylic acids Organophosphorus compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Medium-chain fatty acid - 1,2-dichlorobenzene - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Organophosphonic acid derivative - Organophosphonic acid - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organooxygen compound - Organophosphorus compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - 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
Not available