Compound Identification
SMILES
OS(=O)(=O)C1=CC=C(C=C1)C1=C2C=CC(=N2)C(=C2SC(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C1S2)C1=CC=C(C=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(F)(F)F)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=QBEWOIIVVFNSIT-UHFFFAOYSA-N
Formula
C46H26F6N2O6S4
Mass
944.95
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
Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds 2,5-disubstituted thiophenes Sulfonyls Pyrroles Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate - Trifluoromethylbenzene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - 2,5-disubstituted thiophene - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organofluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - 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