Structure Information
Structure

Compound Identification

SMILES

[Na+].COC1=CC(OC)=NC(SC2=CC=CC(Cl)=C2C([O-])=O)=N1

InChIKey

InChIKey=CNILNQMBAHKMFS-UHFFFAOYSA-M

Formula

C13H10ClN2NaO4S

Mass

348.73

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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

Benzoic acids

Direct Parent

2-pyrimidinylthiobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-pyrimidinylthiobenzoic acid - Diarylthioether - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Aryl thioether - Thiophenol ether - 1-carboxy-2-haloaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Alkyl aryl ether - Vinylogous thioester - Pyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid salt - Azacycle - Organic metal halide - Organic alkali metal salt - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Carboxylic acid derivative - Organopnictogen compound - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic sodium salt - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-pyrimidinylthiobenzoic acids. These are benzoic acids that carry a 2-thiopyrimidine at the 2-position of the benzene ring.

External Descriptors

CHEBI:81973 : organic molecular entity
KEGG (C18805) : Benzoic acid herbicides

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