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Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=CC(=C1N\N=C1\CSCC2=CC=CC=C12)[N+]([O-])=O)C(F)(F)F

InChIKey

InChIKey=NOORFUMGWUJETE-NDENLUEZSA-N

Formula

C16H11F3N4O4S

Mass

412.34

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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

Isothiochromane - Trifluoromethylbenzene - Nitrobenzene - 2-benzothiopyran - Benzothiopyran - Phenylhydrazine - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Organic oxoazanium - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Hydrazone - Alkyl fluoride - Organic zwitterion - Organonitrogen compound - Organofluoride - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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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