Compound Identification
SMILES
COC1=CC(OC)=C2C(=O)OC(CC(O)C(Cl)Cl)=CC2=C1
InChIKey
InChIKey=MOLWVPJZUNCMGV-UHFFFAOYSA-N
Formula
C14H14Cl2O5
Mass
333.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isocoumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarins and derivatives
Alternative Parents
2-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Secondary alcohols Lactones Chlorohydrins Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Chlorohydrin - Halohydrin - Lactone - Secondary alcohol - Oxacycle - Ether - Organoheterocyclic compound - Organohalogen compound - Alkyl chloride - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organochloride - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
External Descriptors
Not available