Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=CC(=C1O\N=C1\CSCC2=CC=CC=C12)[N+]([O-])=O)C(F)(F)F

InChIKey

InChIKey=POYFRHHWQJLYND-NDENLUEZSA-N

Formula

C16H10F3N3O5S

Mass

413.33

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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 - Phenoxy compound - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Thioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organoheterocyclic compound - Organic zwitterion - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - Organohalogen compound - Hydrocarbon derivative - 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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