Compound Identification
SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=S)(OCCC#N)OCCC#N)OC1CCCCO1
InChIKey
InChIKey=WBKDJBIMQLVHLE-ISKLHUAFSA-N
Formula
C32H55N2O7PS
Mass
642.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic thiophosphoric acids and derivatives
-
Subclass
Thiophosphoric acid esters
- Level 5 Thiophosphate triesters
-
Subclass
Thiophosphoric acid esters
-
Class
Organic thiophosphoric acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic thiophosphoric acids and derivatives
Subclass
Thiophosphoric acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Thiophosphate triesters
Alternative Parents
Fatty acid esters Oxanes Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Thiophosphate triester - Fatty acid ester - Oxane - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Acetal - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophosphate triesters. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where exactly three R-groups are organyl groups.
External Descriptors
Not available