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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
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
1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 3-pyridinecarbonitriles Secondary alkylarylamines Aminopyridines and derivatives Methylpyridines Sulfuric acid monoesters Alkyl sulfates Imidolactams Sulfones Organosulfonic acids Heteroaromatic compounds Azo compounds Alkanolamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Hydrocarbon derivatives Organic sodium salts Primary alcohols Organic oxides Organic cations
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