Compound Identification
SMILES
COCCN(CC1=CC=C(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1)C(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=BWRFGPYCKAHVJV-UHFFFAOYSA-N
Formula
C24H21BrF3NO5S
Mass
572.39
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
2-halobenzoic acids and derivatives Trifluoromethylbenzenes Arylsulfonic acids and derivatives Benzamides Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Bromobenzenes Aryl bromides Organosulfonic acid esters Vinylogous halides Sulfonyls Tertiary carboxylic acid amides Dialkyl ethers Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Trifluoromethylbenzene - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Bromobenzene - Halobenzene - Organosulfonic acid ester - Aryl bromide - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Organosulfur compound - Alkyl halide - Organohalogen compound - Organobromide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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