Compound Identification
SMILES
CCOC(=O)CCC(=O)N(CCOC)CC1=CC(OS(=O)(=O)C2=CC=C(F)C=C2)=CC=C1
InChIKey
InChIKey=RPJLAAUEBWLXTO-UHFFFAOYSA-N
Formula
C22H26FNO7S
Mass
467.51
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
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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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Fatty acid esters Fluorobenzenes Organosulfonic acid esters Aryl fluorides N-acyl amines Tertiary carboxylic acid amides Sulfonyls Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organonitrogen compounds Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Halobenzene - Fluorobenzene - Fatty acid ester - Aryl fluoride - Aryl halide - N-acyl-amine - Fatty acyl - Organosulfonic acid ester - Tertiary carboxylic acid amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organofluoride - Organic oxide - 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