Structure Information
Structure

Compound Identification

SMILES

[I-].CCOC(=O)CC(=O)C(=C(SC)SC)[N+]1=CC=C(C)C=C1

InChIKey

InChIKey=XAWQEUFHLLDCHN-UHFFFAOYSA-M

Formula

C15H20INO3S2

Mass

453.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Keto acids and derivatives

Subclass

Beta-keto acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta-keto acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta-keto acid - Fatty acid ester - Methylpyridine - Pyridine - Pyridinium - 1,3-dicarbonyl compound - Alpha-branched alpha,beta-unsaturated-ketone - Fatty acyl - Vinylogous thioester - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organic iodide salt - Carbonyl group - Organic salt - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.

External Descriptors

Not available

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