Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CN1\C(SC2=CC=CC=C12)=C1\S\C(=C\C2=CC=CC=[N+]2C)N(CC2CCCO2)C1=O

InChIKey

InChIKey=APLJXMMGJFTONV-VZXGSGAOSA-M

Formula

C30H31N3O5S3

Mass

609.77

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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 - 1-sulfo,2-unsubstituted aromatic compound - Benzo-thiazole - Benzenesulfonyl group - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Toluene - N-methylpyridinium - Pyridinium - Pyridine - Vinylogous amide - Heteroaromatic compound - Organosulfonic acid or derivatives - Azole - Organic sulfonic acid or derivatives - Thiazole - Sulfonyl - Organosulfonic acid - Oxolane - Lactam - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Oxacycle - Organosulfur compound - Organooxygen 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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