Compound Identification
SMILES
CCCCC1=CC(=O)OC2=CC(OCC(Cl)=C)=CC(OCC(Cl)=C)=C12
InChIKey
InChIKey=TWEZTWKBPUJVLL-UHFFFAOYSA-N
Formula
C19H20Cl2O4
Mass
383.27
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 Phenol ethers Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Vinyl chlorides Oxacyclic compounds Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Ether - Oxacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl chloride - Vinyl halide - Organochloride - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen 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