Compound Identification
SMILES
CC(=O)C(=O)C=C(O)C1=CC(NS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2)=CC=C1
InChIKey
InChIKey=XVSHAHLNPSAFGW-UHFFFAOYSA-N
Formula
C17H13Cl2NO5S
Mass
414.25
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
Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Styrenes Dichlorobenzenes Alpha-diketones Organosulfonamides Aryl chlorides Acryloyl compounds Vinylogous acids Aminosulfonyl compounds Enones Enols Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - 1,3-dichlorobenzene - Styrene - Chlorobenzene - Halobenzene - Alpha-diketone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Acryloyl-group - Vinylogous acid - Alpha,beta-unsaturated ketone - Aminosulfonyl compound - Sulfonyl - Enone - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Enol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic homomonocyclic 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