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Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].CC(=O)NC1=CC(C([O-])=O)=C(C=C1)N=NC(C(C)=O)C(=O)NC1=C(C)C=C(C=C1)C1=CC(C)=C(NC(=O)C(N=NC2=C(C=C(NC(=O)NC3=CC=C(C=C3)S([O-])(=O)=O)C=C2)C([O-])=O)C(C)=O)C=C1

InChIKey

InChIKey=XFPDJDWDAYFSSF-UHFFFAOYSA-K

Formula

C45H38N9Na3O13S

Mass

1013.88

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Acylaminobenzoic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Acylaminobenzoic acid or derivatives - Alpha-amino acid amide - Biphenyl - Alpha-amino acid or derivatives - Acetanilide - N-phenylurea - Benzenesulfonate - N-acetylarylamine - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anilide - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - N-arylamide - Benzoyl - Toluene - 1,3-dicarbonyl compound - Fatty acyl - Fatty amide - Organic sulfonic acid or derivatives - Organosulfonic acid - Acetamide - Organosulfonic acid or derivatives - Sulfonyl - Urea - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxamide group - Ketone - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Carbonyl group - Organic oxygen compound - Organic salt - Organic sodium salt - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.

External Descriptors

Not available

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