Structure Information
Structure

Compound Identification

SMILES

COCCN(CC1=CC=C(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1)C(=O)C1=CC=CC=C1Br

InChIKey

InChIKey=BWRFGPYCKAHVJV-UHFFFAOYSA-N

Formula

C24H21BrF3NO5S

Mass

572.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzenesulfonate esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzenesulfonate ester - Trifluoromethylbenzene - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Bromobenzene - Halobenzene - Organosulfonic acid ester - Aryl bromide - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Organosulfur compound - Alkyl halide - Organohalogen compound - Organobromide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.

External Descriptors

Not available

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