Compound Identification
SMILES
OP(=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-O
Formula
C24H20F3N3O6PS2
Mass
598.53
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 Organic phosphonic acids Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Nitriles Organophosphorus compounds Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives Organic cations
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 - Carbonitrile - Ether - Organoheterocyclic compound - Azacycle - Nitrile - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organophosphorus compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Cyanide - Organic cation - 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