Compound Identification
SMILES
[Na+].OS(=O)(=O)OC1=C([O-])C=C2C=CC(=O)OC2=C1
InChIKey
InChIKey=DBKVSWAFNIPUER-UHFFFAOYSA-M
Formula
C9H5NaO7S
Mass
280.18
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
Arylsulfates 1-benzopyrans Pyranones and derivatives Phenoxides Sulfuric acid monoesters Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Arylsulfate - 1-benzopyran - Phenoxide - Pyranone - Pyran - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - Heteroaromatic compound - Organic sulfuric acid or derivatives - Lactone - Oxacycle - Organoheterocyclic compound - Organic alkali metal salt - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic sodium salt - Organic cation - 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