Compound Identification
SMILES
CO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@@H](COS(=O)(=O)C1=CC=C(C)C=C1)OS(=O)(=O)C(F)(F)F
InChIKey
InChIKey=VBKQUNVQKIICOG-IBEHDNSVSA-N
Formula
C18H23F3O10S2
Mass
520.49
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
p-Methylbenzenesulfonates Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Trifluoromethanesulfonates Ketals Sulfonic acid esters Organosulfonic acid esters Monosaccharides Sulfonyls Oxolanes 1,3-dioxolanes Methanesulfonates Trihalomethanes Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Trifluoromethanesulfonate - Ketal - Toluene - Monosaccharide - Sulfonic acid ester - Organosulfonic acid ester - Meta-dioxolane - Methanesulfonate - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Acetal - Alkyl halide - Organohalogen compound - Organic oxide - Organofluoride - Organooxygen compound - Organosulfur compound - Halomethane - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - 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