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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Anilides
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Level 5
Aromatic anilides
- Level 6 Benzanilides
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Level 5
Aromatic anilides
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Subclass
Anilides
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Aromatic anilides
Direct Parent
Benzanilides
Alternative Parents
Disaccharide sulfates O-glycosyl compounds Benzamides Benzoyl derivatives Chlorobenzenes Sulfuric acid monoesters Oxanes Alkyl sulfates Aryl chlorides Secondary carboxylic acid amides Acetals Oxacyclic compounds Organic alkali metal salts Organochlorides Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
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