Compound Identification
SMILES
OC(=O)C(C(=O)C=CC1=CC=CC=C1)=C1SCS1
InChIKey
InChIKey=FARDYZVKTMGOBQ-UHFFFAOYSA-N
Formula
C13H10O3S2
Mass
278.34
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 Heterocyclic fatty acids Beta-keto acids and derivatives Vinylogous thioesters Unsaturated fatty acids Beta-hydroxy ketones Enones Acryloyl compounds Ketene acetals Dithietanes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Medium-chain keto acid - Styrene - Beta-keto acid - Heterocyclic fatty acid - Monocyclic benzene moiety - Vinylogous thioester - Fatty acyl - Beta-hydroxy ketone - Benzenoid - Unsaturated fatty acid - Keto acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Dithietane - Ketone - Ketene acetal or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - 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