Structure Information
Structure

Compound Identification

SMILES

[O-]S(=O)(=O)C(F)(F)F.[O-][N+](=O)C1=CC=C(C=C1)C1=NN(C[N+](=N1)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=GRQGWGJXZPPDGG-UHFFFAOYSA-M

Formula

C21H16F3N5O5S

Mass

507.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Not available

Substituents

Nitrobenzene - Nitroaromatic compound - Trifluoromethanesulfonate - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - C-nitro compound - Trihalomethane - Organic nitro compound - Hydrazone - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Halomethane - Organosulfur compound - Organonitrogen compound - Organofluoride - Alkyl halide - Organohalogen compound - Alkyl fluoride - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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