Structure Information
Structure

Compound Identification

SMILES

[Na+].COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)N=C([O-])N=C1NC(OC)=NC(C)=N1

InChIKey

InChIKey=JUJFQMPKBJPSFZ-UHFFFAOYSA-M

Formula

C14H13IN5NaO6S

Mass

529.24

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzenesulfonamide - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Benzoyl - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Triazine - 1,3,5-triazine - Organic sulfonic acid or derivatives - Methyl ester - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Carboxylic acid ester - Organic alkali metal salt - Organoheterocyclic compound - Organic metal halide - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organoiodide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic sodium salt - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

CHEBI:81741 : organic molecular entity
KEGG (C18431) : Sulfonylurea herbicides

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