Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=KDAVKEMITDUTFF-UHFFFAOYSA-N

Formula

C12H8ClNO5S

Mass

313.71

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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

Benzenesulfonate esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzenesulfonate ester - Nitrobenzene - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Halobenzene - Chlorobenzene - Organosulfonic acid ester - Aryl chloride - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.

External Descriptors

Not available

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