Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCOC[C@H](COS(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O)OCCCCCCCCCCCCCC

InChIKey

InChIKey=IHDSKZOIFPUMHL-PSXMRANNSA-N

Formula

C37H67NO7S

Mass

670.0

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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 - Nitrobenzene - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Nitroaromatic compound - Glycerol ether - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - 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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