Structure Information
Structure

Compound Identification

SMILES

COC1C(OC)=C(OS(=O)(=O)C2=CC=C(C)C=C2)C=C2CCC(CC(N)=O)C3=CC(O)C(=O)C=CC3=C12

InChIKey

InChIKey=ATOPIZBOCSUWJM-UHFFFAOYSA-N

Formula

C27H29NO8S

Mass

527.59

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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 homopolycyclic compounds

Substituents

Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Ketone - Primary carboxylic acid amide - Secondary alcohol - Cyclic ketone - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Aromatic homopolycyclic 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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