Structure Information
Structure

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

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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

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

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