Compound Identification
SMILES
CC(=O)C1=CC2=C(OC1=O)C=C(OS(=O)(=O)C(F)(F)F)C=C2
InChIKey
InChIKey=BVGCTTMDFVNRRT-UHFFFAOYSA-N
Formula
C12H7F3O6S
Mass
336.24
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 Trifluoromethanesulfonates Aryl alkyl ketones Pyranones and derivatives Sulfonic acid esters Benzenoids Organosulfonic acid esters Sulfonyls Heteroaromatic compounds Methanesulfonates Lactones Trihalomethanes Oxacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Trifluoromethanesulfonate - Aryl ketone - Aryl alkyl ketone - Pyranone - Pyran - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Heteroaromatic compound - Methanesulfonate - Trihalomethane - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organosulfur 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