Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CN1\C(SC2=CC=CC=C12)=C\C1=[N+](CC2CCCO2)C(=O)\C(S1)=C1\SC2=C(C=C(Cl)C=C2)N1C

InChIKey

InChIKey=YDHSDTHBNSWLRZ-ADYMNVQMSA-M

Formula

C32H30ClN3O5S4

Mass

700.3

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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 - Benzenesulfonyl group - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - 1-sulfo,2-unsubstituted aromatic compound - Aryl thioether - Toluene - Aryl chloride - Aryl halide - Vinylogous thioester - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiazole - Meta-thiazoline - Vinylogous amide - N-acylimine - Ketene acetal or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - 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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