Structure Information
Structure

Compound Identification

SMILES

NC1=[N+](N)C=CN=C1.CC1=CC(C)=C(C(C)=C1)S([O-])(=O)=O

InChIKey

InChIKey=NWWJGBHZJYJWNJ-UHFFFAOYSA-N

Formula

C13H18N4O3S

Mass

310.37

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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 - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Aminopyrazine - 2-aminopyrazinium - Pyrazine - Pyrazinium - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Primary amine - Organosulfur compound - Hydrocarbon derivative - Organonitrogen 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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