Structure Information
Structure

Compound Identification

SMILES

[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].[Na].OS(=O)(=O)OC[C@H]1O[C@@H](OCC2=CC(NC(=O)C3=CC(=CC(=C3)C(=O)NC3=C(Cl)C=CC(CO[C@@H]4O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]5O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]5OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]4OS(O)(=O)=O)=C3)C(=O)NC3=C(Cl)C=CC(CO[C@@H]4O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]5O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]5OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]4OS(O)(=O)=O)=C3)=C(Cl)C=C2)[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1O[C@@H]1O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O

InChIKey

InChIKey=PFCNXHBOOQUECS-SWRMYPGSSA-N

Formula

C66H84Cl3N3Na21O99S21

Mass

3765.72

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Anilides

Intermediate Tree Nodes

Aromatic anilides

Direct Parent

Benzanilides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzanilide - Disaccharide sulfate - O-glycosyl compound - Glycosyl compound - Disaccharide - Benzamide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Oxane - Alkyl sulfate - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Acetal - Oxacycle - Carboxylic acid derivative - Organic alkali metal salt - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.

External Descriptors

Not available

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