Compound Identification
SMILES
COC[C@@H](OS(=O)(=O)C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=ANCWFHGRLWTGOL-OAHLLOKOSA-N
Formula
C16H14ClF3O4S
Mass
394.79
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
Trifluoromethylbenzenes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Chlorobenzenes Organosulfonic acid esters Aryl chlorides Sulfonyls Dialkyl ethers Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Trifluoromethylbenzene - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Dialkyl ether - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - 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