Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCCCCCCC1OCC(COC(=O)CCCC[N+]2=CSC=C2)O1
InChIKey
InChIKey=CDWIEDGSWQFTFQ-UHFFFAOYSA-M
Formula
C36H59NO7S2
Mass
681.99
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
Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Fatty acid esters Thiazoles Sulfonyls 1,3-dioxolanes Organosulfonic acids Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Fatty acid ester - Toluene - Fatty acyl - Meta-dioxolane - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiazole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic cation - Aromatic heteromonocyclic 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