Structure Information
Structure

Compound Identification

SMILES

COC1=CN=C2NC(=CC2=C1S(=O)(=O)C1=CC=CC=C1)C(OS(=O)(=O)C1=CC=C(C)C=C1)=CC1CCCC1

InChIKey

InChIKey=JJJANNVWUVBVKN-UHFFFAOYSA-N

Formula

C28H28N2O6S2

Mass

552.66

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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 heteropolycyclic compounds

Substituents

Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Pyrrolopyridine - Benzenesulfonyl group - Alkyl aryl ether - Toluene - Pyridine - Substituted pyrrole - Organosulfonic acid ester - Heteroaromatic compound - Pyrrole - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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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