Compound Identification
SMILES
FC1=CC=C(C=C1)S(=O)(=O)OC1=C(Cl)C=C2C3=C(CCC3)C(=O)OC2=C1
InChIKey
InChIKey=SUTOMHQZSYHDRT-UHFFFAOYSA-N
Formula
C18H12ClFO5S
Mass
394.8
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 Fluorobenzenes Organosulfonic acid esters Aryl chlorides Aryl fluorides Sulfonyls Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Organochlorides Organofluorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Coumarin - Benzopyran - Benzenesulfonate - 1-benzopyran - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Pyranone - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Aryl fluoride - Pyran - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Organosulfur compound - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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