Compound Identification
SMILES
COC(=O)C1=CC=CC=C1OS(=O)(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=YGKFTQCCLUHNFA-UHFFFAOYSA-N
Formula
C14H11FO5S
Mass
310.3
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
Benzoic acid esters Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Benzoyl derivatives Fluorobenzenes Organosulfonic acid esters Aryl fluorides Sulfonyls Methyl esters Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Benzoate ester - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organosulfonic acid ester - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organofluoride - Organooxygen 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