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Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.CC1=CC(OCC2CCN(OC2)C(N)=N)=CC(OS(=O)(=O)C2=CC=CC=C2S(C)(=O)=O)=C1

InChIKey

InChIKey=SIIJBEJQJRYYAQ-UHFFFAOYSA-N

Formula

C22H26F3N3O9S2

Mass

597.58

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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

Not available

Substituents

Benzenesulfonate ester - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - 1,2-oxazinane - Organosulfonic acid ester - Oxazinane - Sulfone - Alpha-halocarboxylic acid or derivatives - Sulfonyl - Alpha-halocarboxylic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Guanidine - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboximidamide - Imine - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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