Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C(C#N)C(=O)NC2=CC(Cl)=CC(Cl)=C2)C=C1

InChIKey

InChIKey=ICVGOSVZUNSXED-UHFFFAOYSA-N

Formula

C22H13Cl2N3O6S

Mass

518.32

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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

p-Nitrobenzenesulfonates

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

P-nitrobenzenesulfonate - Cinnamic acid or derivatives - Cinnamic acid amide - P-bromobenzenesulfonate - Benzenesulfonate ester - Nitrobenzene - Anilide - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Nitroaromatic compound - N-arylamide - 1,3-dichlorobenzene - Phenoxy compound - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Cyanide - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position.

External Descriptors

Not available

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