Compound Identification
SMILES
[Na+].[Na+].[O-]P([O-])(=O)OC1=CC=CC(=C1)C1=CC2=C(S1)C(NCCC1=CN=C(NC(=O)NC3=CC=CC(=C3)C(F)(F)F)S1)=NC=N2
InChIKey
InChIKey=MLENZFULXJQKNJ-UHFFFAOYSA-L
Formula
C25H18F3N6Na2O5PS2
Mass
680.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Organic phosphoric acids and derivatives
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Subclass
Phosphate esters
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Level 5
Aryl phosphates
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Level 6
Aryl phosphomonoesters
- Level 7 Phenyl phosphates
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Level 6
Aryl phosphomonoesters
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Level 5
Aryl phosphates
-
Subclass
Phosphate esters
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Class
Organic phosphoric acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphoric acids and derivatives
Subclass
Phosphate esters
Intermediate Tree Nodes
Aryl phosphates - Aryl phosphomonoesters
Direct Parent
Phenyl phosphates
Alternative Parents
Trifluoromethylbenzenes N-phenylureas Thienopyrimidines Phenoxy compounds 2,3,5-trisubstituted thiophenes Secondary alkylarylamines 2,5-disubstituted thiazoles Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Ureas Azacyclic compounds Organic metal halides Organic oxides Carbonyl compounds Organofluorides Organic sodium salts Alkyl fluorides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl phosphate - Trifluoromethylbenzene - N-phenylurea - Thienopyrimidine - Phenoxy compound - 2,3,5-trisubstituted thiophene - 2,5-disubstituted 1,3-thiazole - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Thiophene - Urea - Organic alkali metal salt - Organoheterocyclic compound - Azacycle - Organic metal halide - Secondary amine - Amine - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Carbonyl group - Alkyl halide - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic sodium salt - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
External Descriptors
Not available