Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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