Compound Identification
SMILES
CC(C)N(CC1=CC=C(OS(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1
InChIKey
InChIKey=FIPKIAVIRWKQMD-UHFFFAOYSA-N
Formula
C23H20Cl2FNO4S
Mass
496.37
Taxonomic Classification
Taxonomy Tree
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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
3-halobenzoic acids and derivatives Arylsulfonic acids and derivatives Benzamides Benzenesulfonyl compounds Phenoxy compounds Dichlorobenzenes Benzoyl derivatives Fluorobenzenes Organosulfonic acid esters Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Sulfonyls Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzoyl - 1,3-dichlorobenzene - Fluorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Organosulfonic acid ester - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen 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