Compound Identification
SMILES
CCCCC(=O)N(CC1=CC=CO1)CC1=CC=C(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=UIZWWMZLGRXBPG-UHFFFAOYSA-N
Formula
C24H24F3NO5S
Mass
495.51
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
Trifluoromethylbenzenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Organosulfonic acid esters N-acyl amines Tertiary carboxylic acid amides Sulfonyls Furans Heteroaromatic compounds Oxacyclic compounds Organic oxides Organofluorides Carbonyl compounds Organonitrogen compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Trifluoromethylbenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - N-acyl-amine - Organosulfonic acid ester - Furan - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl fluoride - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organic oxide - Aromatic heteromonocyclic 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