Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=CC(=NC2=C1C=CC(Cl)=C2)C(F)(F)F
InChIKey
InChIKey=JJYOHFIDPRYJIZ-UHFFFAOYSA-N
Formula
C17H11ClF3NO3S
Mass
401.78
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
p-Methylbenzenesulfonates Chloroquinolines Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Aryl chlorides Pyridines and derivatives Organosulfonic acid esters Heteroaromatic compounds Sulfonyls Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Benzenesulfonate ester - Chloroquinoline - P-methylbenzenesulfonate - Quinoline - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Aryl chloride - Aryl halide - Pyridine - Organosulfonic acid ester - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Organoheterocyclic compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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