Compound Identification
SMILES
CC1=C(Cl)C(=O)OC2=C1C=CC1=C2OCC(C)(O)O1
InChIKey
InChIKey=DPENXDNTUQNKJO-UHFFFAOYSA-N
Formula
C13H11ClO5
Mass
282.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
- Subclass p-Dioxolo[2,3-h]coumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
p-Dioxolo[2,3-h]coumarins
Intermediate Tree Nodes
Not available
Direct Parent
p-Dioxolo[2,3-h]coumarins
Alternative Parents
Benzo-1,4-dioxanes 1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Para dioxins Benzenoids Aryl chlorides Heteroaromatic compounds Lactones Hemiacetals Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-dioxolo[2,3-h]coumarin - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Para-dioxin - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Hemiacetal - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - 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 p-dioxolo[2,3-h]coumarins. These are organic aromatic compounds that contain a p-dioxole ring that is angularly fused to the benzene ring of a coumarin. In p-dioxolo[2,3-h]coumarins, the coumarin ring system shares its C7-C8 bond with the p-dioxole ring.
External Descriptors
Not available