Compound Identification
SMILES
CCN1[C@@H](C)SC2=C1C=CC(=C2)S(=O)(=O)OS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=JDYNLYKCYOIWST-CYBMUJFWSA-N
Formula
C17H19NO5S3
Mass
413.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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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
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds Benzothiazoles Benzenesulfonyl compounds Arylsulfonic acids and derivatives Dialkylarylamines Alkylarylthioethers Thiazoles Sulfonyls Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzo-thiazole - 1,2-benzothiazole - Benzenesulfonyl group - 1,3-benzothiazole - Aryl thioether - Dialkylarylamine - Alkylarylthioether - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiazole - Azacycle - Organoheterocyclic compound - Thioether - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic 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