Compound Identification
SMILES
C[N+](C)(C)CCOP([O-])(=O)OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F
InChIKey
InChIKey=VSLFZZKSQNMFBC-UHFFFAOYSA-N
Formula
C12H16F3N2O6P
Mass
372.237
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic nitrogen compounds
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Class
Organonitrogen compounds
-
Subclass
Quaternary ammonium salts
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Level 5
Cholines
- Level 6 Phosphocholines
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Level 5
Cholines
-
Subclass
Quaternary ammonium salts
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Quaternary ammonium salts
Intermediate Tree Nodes
Cholines
Direct Parent
Phosphocholines
Alternative Parents
Trifluoromethylbenzenes Nitrobenzenes Nitroaromatic compounds Phenoxy compounds Alkyl phosphates Tetraalkylammonium salts Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organofluorides Organic salts Organic oxides Alkyl fluorides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phosphocholine - Trifluoromethylbenzene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Benzenoid - Tetraalkylammonium salt - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Alkyl halide - Organooxygen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Amine - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phosphocholines. These are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative.
External Descriptors
Not available