Compound Identification
SMILES
COCCN(CC1=CC(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)=CC=C1)C(=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=JRAHQANXKLWBCH-UHFFFAOYSA-N
Formula
C25H22F3NO7S
Mass
537.51
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 Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzodioxoles Phenoxy compounds Organosulfonic acid esters Tertiary carboxylic acid amides Sulfonyls Acetals Oxacyclic compounds Dialkyl ethers Alkyl fluorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Trifluoromethylbenzene - Arylsulfonic acid or derivatives - Benzodioxole - Benzenesulfonyl group - Phenoxy compound - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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