Compound Identification
SMILES
OC(=O)CSC1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=YNNGGTUSAOUEHJ-UHFFFAOYSA-N
Formula
C9H5F3N2O6S
Mass
326.2
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
Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Organofluorides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organic oxoazanium - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organosulfur compound - Organohalogen compound - Organic nitrogen compound - Alkyl fluoride - Organic oxygen compound - Organopnictogen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic 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