Compound Identification
SMILES
CC(C)OP(=O)(OC(C)C)C1=NN(C(=N)S1)C1=CC=C(C=C1)[NH+](O)[O-]
InChIKey
InChIKey=KIHWUTZKLMGCNQ-UHFFFAOYSA-N
Formula
C14H21N4O5PS
Mass
388.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic phosphonic acids and derivatives
- Subclass Phosphonic acid diesters
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Class
Organic phosphonic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphonic acids and derivatives
Subclass
Phosphonic acid diesters
Intermediate Tree Nodes
Not available
Direct Parent
Phosphonic acid diesters
Alternative Parents
Phosphonic acid esters Benzene and substituted derivatives Thiadiazoles Heteroaromatic compounds N-organohydroxylamines Azacyclic compounds Organophosphorus compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phosphonic acid diester - Monocyclic benzene moiety - Phosphonic acid ester - Benzenoid - Azole - Thiadiazole - Heteroaromatic compound - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phosphonic acid diesters. These are organophosphorus compounds containing a diester derivative of phosphonic acid, with the general structure ROP(=O)OR' (R,R' = organyl group).
External Descriptors
Not available