Compound Identification
SMILES
CC(=O)C1=CC2=C(OC1=O)C=C(C=C2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=XZOSJLTYOXOERO-UHFFFAOYSA-N
Formula
C17H11ClO3
Mass
298.72
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 Aryl alkyl ketones Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl ketone - Aryl alkyl ketone - Pyranone - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Pyran - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Ketone - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen 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