Structure Information
Structure

Compound Identification

SMILES

CCOS(=O)(=O)C1=CC(N2C=CN=N2)=C(C)C=C1

InChIKey

InChIKey=XXHMKZSVJLHUAF-UHFFFAOYSA-N

Formula

C11H13N3O3S

Mass

267.3

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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 heteromonocyclic compounds

Substituents

Benzenesulfonate ester - P-methylbenzenesulfonate - Phenyltriazole - Phenyl-1,2,3-triazole - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Triazole - 1,2,3-triazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic 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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