Structure Information
Structure

Compound Identification

SMILES

COC1=C(OS(=O)(=O)C2=CC=C(C)C=C2)C(I)=CC(C=C2SC(N)=NC2=O)=C1

InChIKey

InChIKey=CHDIOQBWDUAGDI-UHFFFAOYSA-N

Formula

C18H15IN2O5S2

Mass

530.35

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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 - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Iodobenzene - Toluene - Aryl halide - Aryl iodide - Organosulfonic acid ester - Meta-thiazoline - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - N-acylimine - Isothiourea - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboximidamide - Carboxylic acid derivative - Ether - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organoiodide - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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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