Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=C(C=NNC(=O)C2=CC=CC=C2Br)C=C(Br)C=C1

InChIKey

InChIKey=CIKUQGQMFRMBJY-UHFFFAOYSA-N

Formula

C20H13Br2N3O6S

Mass

583.21

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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 - P-bromobenzenesulfonate - Benzenesulfonate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Halobenzene - Bromobenzene - Organosulfonic acid ester - Aryl halide - Aryl bromide - Vinylogous halide - 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 - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organobromide - Organonitrogen compound - Organic salt - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen 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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