Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

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

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