Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](COC1=C(O)C(F)=CC=C1)OS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=LTISULIDQYFVPF-SFHVURJKSA-N
Formula
C23H23FO8S2
Mass
510.55
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
p-Methylbenzenesulfonates Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds O-fluorophenols Phenol ethers Alkyl aryl ethers Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids Organosulfonic acid esters Aryl fluorides Sulfonyls Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - 2-halophenol - 2-fluorophenol - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Toluene - Aryl halide - Aryl fluoride - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen 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