Compound Identification
SMILES
[Na+].CC1(C)\C(NC2=C1C=C(C=N2)C#CC1=CC=C(C=C1)S([O-])(=O)=O)=C\C=C\C1=NC2=C(C=C(C=[N+]2CCCCCC(O)=O)C#CC2=CC=C(C=C2)S([O-])(=O)=O)C1(C)C
InChIKey
InChIKey=GNFHGLFNTMNVCP-UHFFFAOYSA-M
Formula
C43H39N4NaO8S2
Mass
826.91
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 Pyrrolopyridines Benzenesulfonyl compounds Medium-chain fatty acids Pyridinium derivatives Imidolactams Sulfonyls Heteroaromatic compounds Organosulfonic acids Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Carboxylic acids Monocarboxylic acids and derivatives Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Pyrrolopyridine - 1-sulfo,2-unsubstituted aromatic compound - Medium-chain fatty acid - Pyridine - Pyridinium - Fatty acyl - Imidolactam - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketimine - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic sodium salt - Organic nitrogen compound - Organic salt - Imine - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic 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