Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CCN1\C(SC2=CC=CC=C12)=C\C1=[N+](CC)C2=CC=CC=C2S1
InChIKey
InChIKey=VXBQOORTURDCKL-UHFFFAOYSA-N
Formula
C26H27N2O3S3
Mass
511.69
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
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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 Benzothiazoles Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aryl thioethers Thiazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Ketene acetals Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 1,3-benzothiazole - 1,2-benzothiazole - Benzenesulfonyl group - Benzo-thiazole - Aryl thioether - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiazole - Heteroaromatic compound - Organosulfonic acid - Sulfonyl - Azole - Ketene acetal or derivatives - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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