Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C(=O)NN=CC1=C(OS(=O)(=O)C2=CC=CC(=C2)[N+]([O-])=O)C=CC2=CC=CC=C12

InChIKey

InChIKey=MHGIPPSTXYPHTH-UHFFFAOYSA-N

Formula

C25H19N3O6S

Mass

489.5

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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 homopolycyclic compounds

Substituents

Benzenesulfonate ester - Naphthalene - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - P-toluamide - Toluamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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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