Compound Identification
SMILES
CCCCCCCCCCCCCCCCO[C@@H]1CCC[C@@]1(COS(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O)OC(=O)[C@](OC)(C1=CC=CC=C1)C(F)(F)F
InChIKey
InChIKey=FYRDVYVKCYTJKC-UPKGNIGYSA-N
Formula
C38H54F3NO9S
Mass
757.9
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
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Class
Benzene and substituted derivatives
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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 Organosulfonic acid esters Sulfonyls Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzylether - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Dialkyl ether - Alkyl fluoride - Alkyl halide - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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