Compound Identification
SMILES
CC1=C(Cl)C=C2C=C(C=O)C(=O)OC2=C1
InChIKey
InChIKey=FFCJYSVBHYUTMB-UHFFFAOYSA-N
Formula
C11H7ClO3
Mass
222.62
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 Aryl-aldehydes Benzenoids Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Aryl-aldehyde - Benzenoid - Pyran - Aryl halide - Aryl chloride - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen 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