Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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