Compound Identification
SMILES
OC1=C(SC2=CC=CC(=C2)C(F)(F)F)C(=O)OC2=CC=CC=C12
InChIKey
InChIKey=ZDCARPGVDNOYIQ-UHFFFAOYSA-N
Formula
C16H9F3O3S
Mass
338.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 4-hydroxycoumarins
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Subclass
Hydroxycoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
4-hydroxycoumarins
Alternative Parents
Diarylthioethers Trifluoromethylbenzenes 1-benzopyrans Thiophenol ethers Pyranones and derivatives Vinylogous acids Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxycoumarin - Diarylthioether - Trifluoromethylbenzene - Benzopyran - 1-benzopyran - Aryl thioether - Thiophenol ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.
External Descriptors
Not available