Compound Identification
SMILES
[Na+].[Na+].COC1(OOC11C2CC3CC(C2)CC1C3)C1=CC(OP([O-])([O-])=O)=C2N=C(SC2=C1)C1=CC=CC=C1
InChIKey
InChIKey=SJXHSGDKVQNPEA-UHFFFAOYSA-L
Formula
C25H24NNa2O7PS
Mass
559.48
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
- Level 6 Aryl phosphomonoesters
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Level 5
Aryl phosphates
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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
Direct Parent
Aryl phosphomonoesters
Alternative Parents
Benzothiazoles Benzene and substituted derivatives Thiazoles Heteroaromatic compounds Dioxetanes Dialkyl peroxides Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl phosphomonoester - 1,3-benzothiazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - 1,2-dioxetane - Dialkyl peroxide - Oxacycle - Azacycle - Organoheterocyclic compound - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic sodium salt - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl phosphomonoesters. These are aryl phosphates in which the phosphate is monosubstituted.
External Descriptors
Not available