Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C1(NC2=C(O1)C=CC=C2S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=MBEFOVLXAUDGCR-UHFFFAOYSA-N
Formula
C20H20N2O9S2
Mass
496.51
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
1-benzopyrans 1-sulfo,2-unsubstituted aromatic compounds Benzoxazolines Dialkylarylamines Secondary alkylarylamines Pyranones and derivatives Benzenoids Sulfonyls Alkanesulfonic acids Organosulfonic acids Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Arylsulfonic acid or derivatives - Benzoxazoline - 1-sulfo,2-unsubstituted aromatic compound - Dialkylarylamine - Pyranone - Secondary aliphatic/aromatic amine - Pyran - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Lactone - Tertiary amine - Secondary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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