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Structure Information
Structure

Compound Identification

SMILES

CCCCN(CC1=CC=C(OS(C)(=O)=O)C=C1)C(=O)C1=CC=CC=C1Br

InChIKey

InChIKey=MRYUCGXHLBQPKS-UHFFFAOYSA-N

Formula

C19H22BrNO4S

Mass

440.35

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Carboxylic acid derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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