Structure Information
Structure

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

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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 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

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