Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(OP(O)(=O)CCCl)=C2
InChIKey
InChIKey=WVXJJIDYNINQTJ-UHFFFAOYSA-N
Formula
C12H12ClO5P
Mass
302.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Pyranones and derivatives Phosphonic acid esters Benzenoids Organic phosphonic acids Heteroaromatic compounds Lactones Oxacyclic compounds Organophosphorus compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Phosphonic acid ester - Benzenoid - Pyran - Organophosphonic acid - Heteroaromatic compound - Organophosphonic acid derivative - Lactone - Oxacycle - Organoheterocyclic compound - Organophosphorus compound - Organooxygen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Alkyl chloride - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available