Compound Identification
SMILES
CC1=C(C)C2=C(OC1=O)C=C(OS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F)C=C2
InChIKey
InChIKey=JKYVNDGSYIADSX-UHFFFAOYSA-N
Formula
C18H13F3O7S2
Mass
462.41
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
Benzenesulfonate esters 1-benzopyrans Arylsulfonic acids and derivatives Benzenesulfonyl compounds Pyranones and derivatives Organosulfonic acid esters Sulfones Heteroaromatic compounds Trihalomethanes Lactones Oxacyclic compounds Organic oxides Organofluorides Organooxygen compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Coumarin - Benzopyran - Benzenesulfonate - 1-benzopyran - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Pyranone - Monocyclic benzene moiety - Pyran - Organosulfonic acid ester - Benzenoid - Heteroaromatic compound - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Lactone - Trihalomethane - Oxacycle - Organoheterocyclic compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Halomethane - Organic oxygen compound - Organic oxide - 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