Compound Identification
SMILES
C.FC(F)(F)C1=CC(=CC(=C1)C(F)(F)F)S(=O)(=O)OC1=CC=C(C=C1)[S+](C1=CC=CC=C1)C1=CC=C(OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C=C1.FC(F)(F)C1=CC(=CC(=C1)C(F)(F)F)S(=O)(=O)OC1=CC=C(C=C1)[S+](C1=CC=CC=C1)C1=CC=C(OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C=C1
InChIKey
InChIKey=XDNCVNTZIKWBSY-UHFFFAOYSA-N
Formula
C69H42F24O12S6
Mass
1711.4
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
Trifluoromethylbenzenes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Organosulfonic acid esters Sulfonyls Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Saturated hydrocarbons Organic cations
Molecular Framework
Not available
Substituents
Benzenesulfonate ester - Trifluoromethylbenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Hydrocarbon derivative - Alkyl fluoride - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organic oxide - Saturated hydrocarbon - Organic cation - Hydrocarbon - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available