Compound Identification
SMILES
COCOOC[C@@H](O)[C@@H](OOCOC)C(F)(F)C(=O)OS(=O)(=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=BGBQWRHFBXLGGC-DGCLKSJQSA-N
Formula
C15H19ClF2O11S
Mass
480.81
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
Benzenesulfonyl compounds Arylsulfonic acids and derivatives Chlorobenzenes Aryl chlorides Sulfonyls Alpha-halocarboxylic acid derivatives Secondary alcohols Dialkyl peroxides Monocarboxylic acids and derivatives Organofluorides Organochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary alcohol - Dialkyl peroxide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Alkyl halide - Organohalogen compound - Organochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organofluoride - Alcohol - 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