Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.C[N+]1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C#N

InChIKey

InChIKey=FAXNMCLWXATVPX-UHFFFAOYSA-M

Formula

C21H18N2O5S

Mass

410.44

Export to:

JSON SDF CSV

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 - Phenol ester - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Benzenesulfonyl group - Phenoxy compound - Benzonitrile - Toluene - N-methylpyridinium - Pyridine - Pyridinium - Heteroaromatic compound - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Cyanide - 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

Previous Back Next