Compound Identification
SMILES
COCCN(CC1=CC(OS(=O)(=O)C2=CC=C(F)C=C2)=CC=C1)S(=O)(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=RTRSFDAQQPZIFY-UHFFFAOYSA-N
Formula
C22H21BrFNO6S2
Mass
558.43
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
-
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
Benzenesulfonamides Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Bromobenzenes Fluorobenzenes Aryl bromides Organosulfonamides Organosulfonic acid esters Aryl fluorides Aminosulfonyl compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organobromides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Benzenesulfonamide - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Halobenzene - Fluorobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Organosulfonic acid ester - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Dialkyl ether - Ether - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - 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