Compound Identification
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COS(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O)OC(=O)[C@](OC)(C1=CC=CC=C1)C(F)(F)F
InChIKey
InChIKey=XRVQHKNHQTVJRK-FOYYQAIFSA-N
Formula
C39H58F3NO9S
Mass
773.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
-
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 Benzylethers Nitrobenzenes Nitroaromatic compounds Glycerol ethers Organosulfonic acid esters Sulfonyls Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Alkyl fluorides Carbonyl compounds Organofluorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzylether - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Glycerol ether - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Alkyl fluoride - Organic oxide - 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