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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Trifluoromethanesulfonates Nitroaromatic compounds Sulfonyls Methanesulfonates Organosulfonic acids Trihalomethanes Azacyclic compounds Hydrazones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organofluorides Alkyl fluorides Organic oxides Hydrocarbon derivatives Organic salts Organic cations
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