Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(C(C)=C1)S(O)(=O)=[OH+].N[S+]1CC2=NC3=CC=CC=C3N2C1C1=C(F)C=CC=C1F

InChIKey

InChIKey=UOUDNCQCVNXKHQ-UHFFFAOYSA-O

Formula

C24H25F2N3O3S2

Mass

505.6

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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 - Benzimidazole - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic 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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