Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCO[C@@H]1CCC[C@@]1(COS(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O)OC(=O)[C@](OC)(C1=CC=CC=C1)C(F)(F)F

InChIKey

InChIKey=FYRDVYVKCYTJKC-UPKGNIGYSA-N

Formula

C38H54F3NO9S

Mass

757.9

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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 - Benzylether - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Dialkyl ether - Alkyl fluoride - Alkyl halide - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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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