Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC1=CC(C)=C(C=C1)S([O-])(=O)=O.CC1=CC(=C(C)C=C1)S([O-])(=O)=O.CC1=CC(=CC(C)=C1)S([O-])(=O)=O.CC1=CC=CC(C)=C1S([O-])(=O)=O.CC1=C(C)C=C(C=C1)S([O-])(=O)=O.CC1=C(C)C(=CC=C1)S([O-])(=O)=O
InChIKey
InChIKey=USDFHOSCZYQKDJ-UHFFFAOYSA-H
Formula
C48H54Na6O18S6
Mass
1249.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
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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
p-Methylbenzenesulfonates
Alternative Parents
Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds p-Xylenes o-Xylenes m-Xylenes Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - P-xylene - O-xylene - M-xylene - Xylene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic salt - Organic sodium salt - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available