Compound Identification
SMILES
OCCC1CCCCN1S(=O)(=O)C1=CC=C(CC2=CC3=C(OC(=O)C=C3C(F)(F)F)C=C2)C=C1
InChIKey
InChIKey=XJDBDWGBKDZZRG-UHFFFAOYSA-N
Formula
C24H24F3NO5S
Mass
495.51
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 Benzenesulfonamides Benzenesulfonyl compounds Pyranones and derivatives Piperidines Organosulfonamides Sulfonyls Heteroaromatic compounds Lactones Azacyclic compounds Oxacyclic compounds Organofluorides Organonitrogen compounds Alkyl fluorides Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzenesulfonamide - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Pyranone - Monocyclic benzene moiety - Piperidine - Pyran - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactone - Azacycle - Organoheterocyclic compound - Oxacycle - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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