Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C=CC2=NC=C(N2CCOS(=O)(=O)C2=CC=C(C)C=C2)[N+]([O-])=O)=CC(OC)=C1OC

InChIKey

InChIKey=FETOSXYSJJVOKZ-UHFFFAOYSA-N

Formula

C23H25N3O8S

Mass

503.53

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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

P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1,2,5-trisubstituted-imidazole - Anisole - Nitroimidazole - Phenol ether - Styrene - Trisubstituted imidazole - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Alkyl aryl ether - Toluene - N-substituted imidazole - Organosulfonic acid ester - Heteroaromatic compound - Imidazole - Azole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Organic oxoazanium - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic cation - 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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