Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)C1=CC=C(C=C1)C1=C2C=CC(=N2)C(=C2SC(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C1S2)C1=CC=C(C=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(F)(F)F)C1=CC=C(C=C1)C(F)(F)F

InChIKey

InChIKey=QBEWOIIVVFNSIT-UHFFFAOYSA-N

Formula

C46H26F6N2O6S4

Mass

944.95

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Trifluoromethylbenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Trifluoromethylbenzenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzenesulfonate - Trifluoromethylbenzene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - 2,5-disubstituted thiophene - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organofluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.

External Descriptors

Not available

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