Compound Identification
SMILES
OCCOC1=C(Cl)C(=O)OC2=C1C=C(Cl)C=C2
InChIKey
InChIKey=WZCIYWKUUMNQLB-UHFFFAOYSA-N
Formula
C11H8Cl2O4
Mass
275.08
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 Alkyl aryl ethers Benzenoids Aryl chlorides Vinylogous esters Heteroaromatic compounds Lactones Oxacyclic compounds Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Primary alcohol - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - 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