Compound Identification
SMILES
CCOC(=O)\C=C\CC[C@H](COC1=CC=C(F)C=C1)OS(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=LRALAANLLYKPPS-BQHJZSHBSA-N
Formula
C21H23FO6S
Mass
422.47
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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Fatty acid esters Organosulfonic acid esters Aryl fluorides Sulfonyls Enoate esters Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Fluorobenzene - Halobenzene - Fatty acid ester - Alkyl aryl ether - Aryl halide - Fatty acyl - Organosulfonic acid ester - Aryl fluoride - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organofluoride - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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