Structure Information
Structure

Compound Identification

SMILES

CN(CC1=CC=C(C=C1)S(=O)(=O)CC(O)(COC1=CC=CC=C1)C(O)=O)C(=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=CEMFOLUOKGRYTL-UHFFFAOYSA-N

Formula

C25H24ClNO7S

Mass

517.98

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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

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzenesulfonyl group - Benzamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Hydroxy acid - Tertiary carboxylic acid amide - Tertiary alcohol - Sulfonyl - Sulfone - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Ether - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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