Compound Identification
SMILES
ClC1=CC=C(C=CC(=O)C=C2SCCS2)C=C1
InChIKey
InChIKey=KRLVHPDIDCYCJD-UHFFFAOYSA-N
Formula
C13H11ClOS2
Mass
282.8
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
Styrenes Chlorobenzenes Vinylogous thioesters Aryl chlorides Enones Acryloyl compounds 1,3-dithiolanes Ketones Ketene acetals Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Enone - Dithiolane - 1,3-dithiolane - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Ketene acetal or derivatives - Organoheterocyclic compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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