Compound Identification
SMILES
[Na+].CC1=CC=C(C=C1)S(=O)(=O)OCC(OS([O-])(=O)=O)C(COS(=O)(=O)C1=CC=C(C)C=C1)N=[N+]=[N-]
InChIKey
InChIKey=SXXQFFXLESZKOM-UHFFFAOYSA-M
Formula
C18H20N3NaO10S3
Mass
557.54
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
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Sulfuric acid monoesters Organosulfonic acid esters Alkyl sulfates Sulfonyls Azo imides Azo compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azo compound - Azo imide - Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available