Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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