Compound Identification
SMILES
[Na+].CC(C)CCOC1=C2OC3=C(C=C(C=C3)C([O-])=O)C(=O)C2=CC(=C1)S(C)=O
InChIKey
InChIKey=IPVVHRZLWDUMCX-UHFFFAOYSA-M
Formula
C20H19NaO6S
Mass
410.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
-
Subclass
1-benzopyrans
- Level 5 Dibenzopyrans
-
Subclass
1-benzopyrans
-
Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Dibenzopyrans - Xanthenes
Direct Parent
Xanthones
Alternative Parents
Chromones Phenol ethers Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Sulfoxides Carboxylic acid salts Sulfinyl compounds Oxacyclic compounds Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthone - Chromone - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Sulfoxide - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Organic alkali metal salt - Sulfinyl compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic sodium salt - Organic salt - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
External Descriptors
Not available