Structure Information
Structure

Compound Identification

SMILES

O=CC1=CC2=C(OCO2)C=C1.CCOC(=O)CC(=O)C1=CC=C(C=C1)C(=O)CC(O)=O

InChIKey

InChIKey=NAVSXFZMJDFMKC-UHFFFAOYSA-N

Formula

C22H20O9

Mass

428.393

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Not available

Substituents

Alkyl-phenylketone - 3-phenylpropanoic-acid - Benzoyl - Aryl alkyl ketone - Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Beta-hydroxy ketone - Dicarboxylic acid or derivatives - Fatty acyl - Keto acid - Benzenoid - 1,3-dicarbonyl compound - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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