Compound Identification
SMILES
[Na+].[Na+].[O-]S(=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=ZIIXLVJMSCYJDU-UHFFFAOYSA-L
Formula
C46H24F6N2Na2O6S4
Mass
988.92
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 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 2,5-disubstituted thiophenes Sulfonyls Pyrroles Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organic metal halides Organic oxides Organic sodium salts Organic zwitterions Organonitrogen compounds Alkyl fluorides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 2,5-disubstituted thiophene - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Sulfonyl - Thiophene - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic sodium salt - Organic nitrogen compound - Organic salt - Organic zwitterion - 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