Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.OCCOCC[N+]1=CC=CC=C1

InChIKey

InChIKey=BQIJEKALBVFPKV-UHFFFAOYSA-M

Formula

C16H21NO5S

Mass

339.41

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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 - Toluene - Pyridine - Pyridinium - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - 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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