Compound Identification
SMILES
CCC(C)N(CC1=CC=C(OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1)C(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=RTZHTZWHOYHDFZ-UHFFFAOYSA-N
Formula
C25H23F3N2O6S
Mass
536.52
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
Trifluoromethylbenzenes Arylsulfonic acids and derivatives Benzamides Benzenesulfonyl compounds Nitrobenzenes Phenoxy compounds Benzoyl derivatives Nitroaromatic compounds Organosulfonic acid esters Tertiary carboxylic acid amides Sulfonyls Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Alkyl fluorides Organic salts Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Trifluoromethylbenzene - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organosulfur compound - Organofluoride - Organonitrogen compound - Organohalogen compound - Alkyl halide - Organooxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - 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