Compound Identification
SMILES
ClC1=CC=C(S1)C(=O)C=CC1=CC=CC=C1
InChIKey
InChIKey=RXRRRWWGTQBBHT-UHFFFAOYSA-N
Formula
C13H9ClOS
Mass
248.72
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 Aryl ketones 2,5-disubstituted thiophenes Aryl chlorides Heteroaromatic compounds Enones Acryloyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Aryl ketone - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Organoheterocyclic compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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