Structure Information
Structure

Compound Identification

SMILES

COC1=C(OS(=O)(=O)C2=CC(=C(C)C=C2)[N+]([O-])=O)C=CC(C=NNC(=O)C2=CC=CC=C2O)=C1

InChIKey

InChIKey=WCXOFVHDFMLHCY-UHFFFAOYSA-N

Formula

C22H19N3O8S

Mass

485.47

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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

P-methylbenzenesulfonate - Benzenesulfonate ester - Salicylic acid or derivatives - Salicylamide - Nitrobenzene - Nitrotoluene - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Nitroaromatic compound - Methoxybenzene - Benzoyl - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Toluene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Organosulfonic acid ester - Vinylogous acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - 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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