Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CCOCC(COC1=CC=C(NC(=O)CC[S+](C)C)C=C1)OCC
InChIKey
InChIKey=NRLZOTACRQXSQF-UHFFFAOYSA-N
Formula
C25H37NO7S2
Mass
527.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Anilides Benzenesulfonyl compounds Phenoxy compounds N-arylamides Phenol ethers Alkyl aryl ethers Glycerol ethers Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anilide - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Toluene - Glycerol ether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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