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
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 2-benzothiopyrans Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Organic oxoazanium compounds Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Alkyl fluorides Organic salts Organic zwitterions
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