Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CN1N=CN=C1SCC1(OCC(CO)O1)C1=C(F)C=C(F)C=C1

InChIKey

InChIKey=MLENWZZKQYTALZ-UHFFFAOYSA-N

Formula

C21H23F2N3O6S2

Mass

515.55

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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 - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Aryl thioether - Toluene - Alkylarylthioether - Halobenzene - Fluorobenzene - Ketal - Aryl halide - Aryl fluoride - Organic sulfonic acid or derivatives - Organosulfonic acid - Organosulfonic acid or derivatives - Sulfonyl - 1,2,4-triazole - Heteroaromatic compound - Azole - Meta-dioxolane - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Primary alcohol - Organic oxygen compound - Organopnictogen compound - 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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