Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CCN1\C(S\C(C1=O)=C1\SC2=CC=CC=C2N1C)=C\C1=CC=[N+](C)C=C1

InChIKey

InChIKey=RKFHVHJFGBIRCO-KPJFUTMLSA-M

Formula

C27H27N3O4S3

Mass

553.71

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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 - Arylsulfonic acid or derivatives - Benzo-thiazole - Benzenesulfonyl group - 1,2-benzothiazole - 1,3-benzothiazole - 1-sulfo,2-unsubstituted aromatic compound - Aryl thioether - N-methylpyridinium - Toluene - Pyridinium - Pyridine - Azole - Vinylogous amide - Heteroaromatic compound - Thiazole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur 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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