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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
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
Medium-chain keto acids and derivatives Styrenes Beta-keto acids and derivatives Heterocyclic fatty acids Halogenated fatty acids Chlorobenzenes Vinylogous thioesters Unsaturated fatty acids Aryl chlorides Beta-hydroxy ketones Acryloyl compounds Enones Ketene acetals Dithietanes Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Hydrocarbon derivatives Organic oxides
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