Compound Identification
SMILES
CCOC(=O)COc1ccc(Cl)cc1COC(=O)C1=Cc2cc(CCl)ccc2OC1=O
InChIKey
InChIKey=UMLFQALCMANBHR-UHFFFAOYSA-N
Formula
C22H18Cl2O7
Mass
465.28
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
Phenoxyacetic acid derivatives 1-benzopyrans Benzyloxycarbonyls Phenoxy compounds Phenol ethers Pyranones and derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Alkyl chlorides Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Phenoxyacetate - Benzopyran - Benzyloxycarbonyl - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Benzenoid - Pyran - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid ester - Lactone - Ether - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alkyl chloride - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Alkyl halide - 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