Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].CC1=C(C#N)C(NCCCO)=NC(NCCCO)=C1N=NC1=C(C=C(C=C1)S(=O)(=O)CCOS([O-])(=O)=O)S([O-])(=O)=O

InChIKey

InChIKey=GNADXOFVVANHCS-UHFFFAOYSA-L

Formula

C21H26N6Na2O11S3

Mass

680.63

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzenesulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 3-pyridinecarbonitrile - Secondary aliphatic/aromatic amine - Aminopyridine - Methylpyridine - Imidolactam - Sulfuric acid monoester - Sulfate-ester - Pyridine - Sulfuric acid ester - Alkyl sulfate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic sulfuric acid or derivatives - Heteroaromatic compound - Sulfone - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Nitrile - Organic alkali metal salt - Azacycle - Carbonitrile - Secondary amine - Alkanolamine - Alcohol - Organic nitrogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Amine - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.

External Descriptors

Not available

Previous Back Next