Compound Identification
SMILES
OS(=O)(=O)CC([O-])=O.COC1=CC2=CC3=[N+](C=CC4=CC=CC=C34)C(C)=C2C=C1OC
InChIKey
InChIKey=KPTROYVDKUVYPZ-UHFFFAOYSA-M
Formula
C22H21NO7S
Mass
443.47
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
Anisoles Alkyl aryl ethers Methylpyridines Pyridinium derivatives Sulfonyls Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Not available
Substituents
Isoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic cation - 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