Compound Identification
SMILES
O[C@@H](CN[C@H]1CCCC2=CC3=C(OC(O3)(C(O)=O)C(O)=O)C=C2C1)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=GWMSTQYZVVPMPN-IRXDYDNUSA-N
Formula
C22H22ClNO7
Mass
447.87
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 Ketals Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Secondary alcohols 1,2-aminoalcohols Amino acids Oxacyclic compounds Carboxylic acids Dialkylamines Carbonyl compounds Organic oxides Aromatic alcohols Organopnictogen compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Chlorobenzene - Halobenzene - Ketal - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Amino acid - Amino acid or derivatives - Secondary alcohol - 1,2-aminoalcohol - Oxacycle - Secondary amine - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Alcohol - Aromatic alcohol - Organooxygen compound - Amine - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - 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