Compound Identification
SMILES
ClCC1=CC2=C(OC(=O)C(=C2)C(=O)OC2=CC=C(I)C=C2)C=C1
InChIKey
InChIKey=FPQJQHKKHUJQKO-UHFFFAOYSA-N
Formula
C17H10ClIO4
Mass
440.62
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
Phenol esters 1-benzopyrans Phenoxy compounds Pyranones and derivatives Iodobenzenes Aryl iodides Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organochlorides Organoiodides Organooxygen compounds Organic oxides Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ester - Phenoxy compound - Pyranone - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organoiodide - Organochloride - Organohalogen compound - Organic oxygen 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