Compound Identification
SMILES
OC(=O)CS(O)(=O)=O.CC1N2C=CC3=CC4=C(OCO4)C=C3C2=CC2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=SMJGGPWPSJBBHI-UHFFFAOYSA-N
Formula
C22H19NO9S
Mass
473.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Aralkylamines Benzenoids Alkanesulfonic acids Sulfonyls Organosulfonic acids Trialkylamines Monocarboxylic acids and derivatives Enamines Carboxylic acids Acetals Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Not available
Substituents
Benzodioxole - Aralkylamine - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary amine - Tertiary aliphatic amine - Acetal - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available