Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=CC(Cl)=C1)S(=O)(=O)OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2

InChIKey

InChIKey=HJQWRIVMPFXZLA-UHFFFAOYSA-N

Formula

C16H10Cl3NO4S

Mass

418.67

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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 heteropolycyclic compounds

Substituents

Haloquinoline - Benzenesulfonate ester - Chloroquinoline - Quinoline - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Pyridine - Aryl halide - Organosulfonic acid ester - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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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