Structure Information
Structure

Compound Identification

SMILES

COCCN(CC1=CC(OS(=O)(=O)C2=CC=C(F)C=C2)=CC=C1)C(=O)C1=CC=CC=C1F

InChIKey

InChIKey=NCDXVSUXJCPOHE-UHFFFAOYSA-N

Formula

C23H21F2NO5S

Mass

461.48

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