Compound Identification
SMILES
CC(=O)C(=C/C1=CC(Cl)=CC=C1)\P1(=O)OCC(C)(C)CO1
InChIKey
InChIKey=DQCNZOWOUZSWOP-RIYZIHGNSA-N
Formula
C15H18ClO4P
Mass
328.73
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
Phosphonic acid diesters Chlorobenzenes Phosphonic acid esters Aryl chlorides Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Ketones Oxacyclic compounds Organophosphorus compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Chlorobenzene - Halobenzene - Phosphonic acid diester - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Phosphonic acid ester - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Organophosphonic acid derivative - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Oxacycle - Organoheterocyclic compound - Organophosphorus 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