Compound Identification
SMILES
ClC(=C)COC1=C(Cl)C=C2C(OC(=O)C3=C2CCCC3)=C1
InChIKey
InChIKey=HXJAMXJFXSPGNE-UHFFFAOYSA-N
Formula
C16H14Cl2O3
Mass
325.19
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 Heteroaromatic compounds Lactones Vinyl chlorides Oxacyclic compounds Chloroalkenes 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 - Lactone - Oxacycle - Chloroalkene - Ether - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxygen compound - Organic oxide - 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