Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].CN(C)C(=O)COC1=C2CC3=CC(=CC(CC4=C(OCC(=O)N(C)C)C(CC5=C(OCC(=O)N(C)C)C(CC1=CC(=C2)S([O-])(=O)=O)=CC(=C5)S([O-])(=O)=O)=CC(=C4)S([O-])(=O)=O)=C3OCC(=O)N(C)C)S([O-])(=O)=O
InChIKey
InChIKey=WMCUYUBEQSCWIH-UHFFFAOYSA-J
Formula
C44H48N4Na4O20S4
Mass
1173.08
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Organic sulfonic acids and derivatives
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Subclass
Organosulfonic acids and derivatives
-
Level 5
Arylsulfonic acids and derivatives
- Level 6 Arylsufonic acids
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Level 5
Arylsulfonic acids and derivatives
-
Subclass
Organosulfonic acids and derivatives
-
Class
Organic sulfonic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Subclass
Organosulfonic acids and derivatives
Intermediate Tree Nodes
Arylsulfonic acids and derivatives - Arylsufonic acids
Direct Parent
1-sulfo,2-unsubstituted aromatic compounds
Alternative Parents
Phenol ethers Alkyl aryl ethers Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-sulfo,2-unsubstituted aromatic compound - Phenol ether - Alkyl aryl ether - Benzenoid - Organosulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organic alkali metal salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic sodium salt - Organic salt - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-sulfo,2-unsubstituted aromatic compounds. These are an arylsulfonic acid carrying the sulfonic acid group at the 1-position, and no substitute at the 2-position of the aromatic ring.
External Descriptors
Not available