Structure Information
Structure

Compound Identification

SMILES

Cl.CC1=CC(OCCCO)=CC(OS(=O)(=O)C2=CC=CC=C2C#N)=C1

InChIKey

InChIKey=FMOFIDKMLUNCLT-UHFFFAOYSA-N

Formula

C17H18ClNO5S

Mass

383.84

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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 - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ether - Carbonitrile - Nitrile - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Cyanide - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Hydrochloride - 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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