Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCN1C=CN=C1.CCCCCCC[N+]1=CN(CCC#CC2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=VKUBNHGHYBEYJG-UHFFFAOYSA-M

Formula

C37H51ClN4O3S

Mass

667.35

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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 - 1-sulfo,2-unsubstituted aromatic compound - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic 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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