Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=CC(=NN1C1=CC=C(Cl)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=JYWBQNSXKRIDLO-UHFFFAOYSA-N

Formula

C21H14ClN3O5S

Mass

455.87

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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 heteromonocyclic compounds

Substituents

P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Benzenesulfonate ester - Phenylpyrazole - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organosulfonic acid ester - Organosulfonic acid or derivatives - Heteroaromatic compound - Azole - Pyrazole - Organic sulfonic acid or derivatives - Sulfonyl - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organochloride - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic 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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