Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC1CC2=C(O1)C(=CC(=C2)C(F)(F)F)C1=C(F)C(F)=CC=C1
InChIKey
InChIKey=GZUYBPKBLYLONO-UHFFFAOYSA-N
Formula
C23H17F5O4S
Mass
484.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
p-Methylbenzenesulfonates Tosyl compounds Coumarans Benzenesulfonyl compounds Arylsulfonic acids and derivatives Fluorobenzenes Alkyl aryl ethers Organosulfonic acid esters Aryl fluorides Sulfonyls Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonyl group - Coumaran - Arylsulfonic acid or derivatives - Alkyl aryl ether - Fluorobenzene - Toluene - Halobenzene - Aryl fluoride - Aryl halide - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Ether - Organoheterocyclic compound - Organosulfur compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic heteropolycyclic 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