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Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(C(=O)C=CC1=CC=C(Cl)C=C1)=C1SCS1

InChIKey

InChIKey=RRJKVUVGKGZVHA-UHFFFAOYSA-N

Formula

C13H9ClO3S2

Mass

312.78

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid or derivatives - Medium-chain keto acid - Styrene - Heterocyclic fatty acid - Halobenzene - Chlorobenzene - Beta-keto acid - Halogenated fatty acid - Aryl halide - Vinylogous thioester - Fatty acyl - Unsaturated fatty acid - Benzenoid - Beta-hydroxy ketone - Monocyclic benzene moiety - Aryl chloride - Keto acid - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Dithietane - Ketone - Ketene acetal or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Carbonyl group - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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