Compound Identification
SMILES
COCCN(CC1=CC(OS(=O)(=O)C2=CC=C(F)C=C2)=CC=C1)C(=O)C1=C(Cl)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=UKIFDRBHOWXLLE-UHFFFAOYSA-N
Formula
C23H20ClFN2O7S
Mass
522.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
2-halobenzoic acids and derivatives Nitrobenzenes Benzenesulfonyl compounds Benzamides Arylsulfonic acids and derivatives Benzoyl derivatives Nitroaromatic compounds Phenoxy compounds Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Organosulfonic acid esters Sulfonyls Tertiary carboxylic acid amides Vinylogous halides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organofluorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Benzamide - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Benzoyl - Halobenzene - Chlorobenzene - Fluorobenzene - Aryl fluoride - Aryl chloride - Organosulfonic acid ester - Aryl halide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous halide - Carboxamide group - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Organic cation - 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