Structure Information
Structure

Compound Identification

SMILES

CC(CCCCC(O)=O)N\C(C1=CC=C(Cl)C=C1)=C1\C=C(Cl)C=C(C)C1=O

InChIKey

InChIKey=VBOQFAIZSISUPL-ZZEZOPTASA-N

Formula

C21H23Cl2NO3

Mass

408.32

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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 - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

O-quinomethane - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Methyl-branched fatty acid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Aryl chloride - Aryl halide - Vinylogous amide - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic oxide - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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