Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=C)C(O)C1=CC(Br)=CS1

InChIKey

InChIKey=GPTOWXMMQOWZLF-UHFFFAOYSA-N

Formula

C9H9BrO3S

Mass

277.13

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Subclass

Beta hydroxy acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta hydroxy acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta-hydroxy acid - Fatty acid ester - Aryl bromide - Aryl halide - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Thiophene - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Aromatic alcohol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

External Descriptors

Not available

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