Structure Information
Structure

Compound Identification

SMILES

FC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC(CN(CC2=CC=CO2)C(=O)C2=C(Cl)C=C(Cl)C=C2)=C1

InChIKey

InChIKey=ATYDUQDNODEPAN-UHFFFAOYSA-N

Formula

C25H18Cl2FNO5S

Mass

534.38

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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 heteromonocyclic compounds

Substituents

Benzenesulfonate ester - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1,3-dichlorobenzene - Benzoyl - Phenoxy compound - Fluorobenzene - Chlorobenzene - Halobenzene - Organosulfonic acid ester - Aryl halide - Aryl chloride - Aryl fluoride - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Furan - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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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