Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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