Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=CC(\C(=N\OS(=O)(=O)C2=CC=C(C)C=C2)C(F)(F)F)=C1C(C)C)C(C)C

InChIKey

InChIKey=FNASDHMAAHLXFV-QLYXXIJNSA-N

Formula

C22H26F3NO4S

Mass

457.51

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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

Aromatic homomonocyclic compounds

Substituents

P-methylbenzenesulfonate - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Tosyl compound - Arylsulfonic acid or derivatives - Cumene - Phenylpropane - Benzenesulfonyl group - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Toluene - Alkyl aryl ether - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Alkyl halide - Organic oxide - Organic oxygen compound - Organohalogen compound - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic 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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