Compound Identification
SMILES
CC(C)C1=C(C)C=C2OC(=O)C=C(COC(=O)C3=C(F)C=CC=C3Cl)C2=C1
InChIKey
InChIKey=TZGSXWVITSNBPC-UHFFFAOYSA-N
Formula
C21H18ClFO4
Mass
388.82
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 2-halobenzoic acids and derivatives Benzoic acid esters Cumenes Benzoyl derivatives Pyranones and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Heteroaromatic compounds Lactones Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Organochlorides Organofluorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzoate ester - Benzopyran - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Cumene - Benzoyl - Chlorobenzene - Pyranone - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Pyran - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - 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