Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C[N+](C)=C(C)N1N.CC1=CC(C)=C(C(C)=C1)S([O-])(=O)=O

InChIKey

InChIKey=SCLQICSBESTXGI-UHFFFAOYSA-M

Formula

C16H23N3O5S

Mass

369.44

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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 - 1,2,4-trisubstituted-imidazole - 1,2,5-trisubstituted-imidazole - Trisubstituted imidazole - Imidazole-4-carbonyl group - N-substituted imidazole - Vinylogous amide - Imidazole - Methyl ester - Heteroaromatic compound - Azole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur 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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