Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]1C[C@@H](O[C@@H]2COC(O[C@@H]12)C1=CC=CC=C1)N1C=C(F)C(=O)NC1=O
InChIKey
InChIKey=SKSURQJSRPZROK-KGBQYVHCSA-N
Formula
C24H23FN2O8S
Mass
518.51
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
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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
p-Methylbenzenesulfonates Tosyl compounds Pyranodioxins Arylsulfonic acids and derivatives Benzenesulfonyl compounds Halopyrimidines Pyrimidones Oxanes Organosulfonic acid esters Aryl fluorides 1,3-dioxanes Hydropyrimidines Sulfonyls Vinylogous amides Heteroaromatic compounds Ureas Lactams Acetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Pyranodioxin - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Pyrimidone - Toluene - Halopyrimidine - Meta-dioxane - Pyrimidine - Aryl fluoride - Organosulfonic acid ester - Aryl halide - Hydropyrimidine - Oxane - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Urea - Lactam - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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