Compound Identification
SMILES
COC(=O)C(=O)C=C(O)C1=CC(Cl)=C(OC)C=C1OC
InChIKey
InChIKey=CXBOGRVWUQKKAF-UHFFFAOYSA-N
Formula
C13H13ClO6
Mass
300.69
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
Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Chlorobenzenes Fatty acid esters Alpha-keto acids and derivatives Aryl chlorides Methyl esters Enones Vinylogous acids Acryloyl compounds Ketones Enols Monocarboxylic acids and derivatives Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Styrene - Alkyl aryl ether - Fatty acid ester - Halobenzene - Chlorobenzene - Alpha-keto acid - Fatty acyl - Keto acid - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Enone - Vinylogous acid - Alpha,beta-unsaturated ketone - Acryloyl-group - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Enol - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - 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