Structure Information
Structure

Compound Identification

SMILES

CCCC1=C(OCCCCCC2=C(O)C(O)=C(Cl)C(Cl)=C2Cl)C=CC(C(O)=O)=C1O

InChIKey

InChIKey=CZLGVOXCTHIPFI-UHFFFAOYSA-N

Formula

C21H23Cl3O6

Mass

477.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives

Direct Parent

Salicylic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Salicylic acid - 3-chlorocatechol - 4-chlorocatechol - Benzoic acid - Phenylpropane - Chlorocatechol - Phenoxy compound - Benzoyl - Catechol - Phenol ether - 4-chlorophenol - 4-halophenol - 3-halophenol - 2-halophenol - 2-chlorophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Chlorobenzene - Phenol - Halobenzene - Aryl halide - Aryl chloride - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.

External Descriptors

Not available

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