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-UDWIEESQSA-N
Formula
C16H11F3N4O4S
Mass
412.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Isothiochromanes Nitrobenzenes 2-benzothiopyrans Phenylhydrazines Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Dialkylthioethers Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
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