Structure Information
Structure

Compound Identification

SMILES

COC1OCC(NC(C)=O)C(OS(=O)(=O)C2=CC=C(C)C=C2)C1OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=TXKHDVADANHRPU-UHFFFAOYSA-N

Formula

C22H25NO8S

Mass

463.5

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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 - P-methylbenzenesulfonate - Benzoate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Toluene - Monosaccharide - Oxane - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Acetamide - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen 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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