Structure Information
Structure

Compound Identification

SMILES

CCCC1=C(OCCCCCC2=C(Cl)C=CC(O)=C2O)C=CC(C(O)=O)=C1O

InChIKey

InChIKey=JCLVUJKFJPYWGP-UHFFFAOYSA-N

Formula

C21H25ClO6

Mass

408.88

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