Compound Identification
SMILES
[K+].CC(C)(O)C#CC1=CN(CCCCCC(O)=O)C2=N\C(=C/C=C/C3=NC4=C(C=C(C=[N+]4CC(=O)NC4=C(C=CC(=C4)S([O-])(=O)=O)S([O-])(=O)=O)C#CC(C)(C)O)C3(C)C)C(C)(C)C2=C1
InChIKey
InChIKey=XFEBGSSJECXBAX-UHFFFAOYSA-M
Formula
C45H50KN5O11S2
Mass
940.14
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 Anilides Benzenesulfonyl compounds Pyrrolopyridines Medium-chain fatty acids N-arylamides Dihydropyridines Hydroxy fatty acids Pyridinium derivatives Ynones Imidolactams Organosulfonic acids Sulfonyls Pyrrolines Heteroaromatic compounds Tertiary alcohols Secondary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Monocarboxylic acids and derivatives Enamines Carboxylic acids Organic oxides Organic potassium salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Pyrrolopyridine - Anilide - 1-sulfo,2-unsubstituted aromatic compound - Medium-chain fatty acid - N-arylamide - Dihydropyridine - Hydroxy fatty acid - Pyridine - Pyridinium - Ynone - Fatty acyl - Imidolactam - Heteroaromatic compound - Pyrroline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary alcohol - Carboxamide group - Ketimine - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidamide - Organoheterocyclic compound - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Enamine - Carboxylic acid amidine - Monocarboxylic acid or derivatives - Amidine - Azacycle - Organic zwitterion - Imine - Organic oxide - Organic potassium salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic salt - Carbonyl group - Amine - Organic nitrogen compound - 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