Compound Identification
SMILES
COC1=CC2=C(OC(=O)C=C2SC2=C(F)C=C(F)C=C2)C=C1
InChIKey
InChIKey=ZRJTTWBYHWXDIJ-UHFFFAOYSA-N
Formula
C16H10F2O3S
Mass
320.31
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
Diarylthioethers 1-benzopyrans Thiophenol ethers Anisoles Alkyl aryl ethers Pyranones and derivatives Fluorobenzenes Vinylogous thioesters Aryl fluorides Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diarylthioether - Benzopyran - 1-benzopyran - Aryl thioether - Anisole - Thiophenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Pyranone - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous thioester - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - 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