Compound Identification
SMILES
[O-]P(=O)(CNS(=O)(=O)C1=CC2=C(S1)C=CC(OCC[N+]1=CC=CC=C1)=C2)OC1=CC(=C(C=C1)C#N)C(F)(F)F
InChIKey
InChIKey=GJIBSINKDDHERS-UHFFFAOYSA-N
Formula
C24H19F3N3O6PS2
Mass
597.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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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
1-benzothiophenes Phenoxy compounds Phenol ethers 2,3,5-trisubstituted thiophenes Benzonitriles Alkyl aryl ethers Pyridinium derivatives Phosphonic acid esters Organosulfonamides Aminosulfonyl compounds Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organic salts Alkyl fluorides Organic zwitterions Organofluorides Organophosphorus compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzothiophene - 1-benzothiophene - Phenoxy compound - Benzonitrile - Phenol ether - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Phosphonic acid ester - Pyridine - Pyridinium - Organosulfonic acid amide - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Azacycle - Carbonitrile - Ether - Organoheterocyclic compound - Nitrile - Organic zwitterion - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Cyanide - Hydrocarbon derivative - Alkyl halide - Organic salt - 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