Structure Information
Structure

Compound Identification

SMILES

COC1=C(OS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=CC(C=NNC(=O)C2=CC(I)=CC=C2)=C1

InChIKey

InChIKey=HQRBISTWCHTZOM-UHFFFAOYSA-N

Formula

C21H16IN3O7S

Mass

581.34

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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 - Benzenesulfonate ester - P-bromobenzenesulfonate - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Iodobenzene - Organosulfonic acid ester - Aryl halide - Aryl iodide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Ether - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Organosulfur 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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