Compound Identification
SMILES
ClC1=C(OCCI)OC(=O)C2=CC=CC=C12
InChIKey
InChIKey=OPVLTOODNJPVMQ-UHFFFAOYSA-N
Formula
C11H8ClIO3
Mass
350.54
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 Pyranones and derivatives Alkyl aryl ethers Benzenoids Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl iodides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Alkyl iodide - Alkyl halide - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organoiodide - 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