Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=NN(C(OS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)=C1)C1=CC(Cl)=C(Cl)C=C1

InChIKey

InChIKey=DYKABMGPICVILT-UHFFFAOYSA-N

Formula

C19H17Cl2N3O5S

Mass

470.32

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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 heteromonocyclic compounds

Substituents

P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Phenylpyrazole - Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Organosulfonic acid ester - Aryl chloride - Sulfonyl - Azole - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organosulfur compound - Organic oxygen compound - Organochloride - Organohalogen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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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