Compound Identification
SMILES
OS(O)(=O)=O.OC1=CC=C2C=C(NC=C2C1=O)C(=O)OCCC1=CC=CC=C1
InChIKey
InChIKey=HHYMLTRETYGOJM-UHFFFAOYSA-N
Formula
C18H17NO8S
Mass
407.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Pyridinecarboxylic acids 1-hydroxy-2-unsubstituted benzenoids Organic sulfuric acids Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Sulfuric acid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyridine - Monocyclic benzene moiety - Vinylogous amide - Organic sulfuric acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available