4,4-bis(diethoxyphosphoryl)-2-pyridin-2-yl-butanenitrile

Systemtic Name: 4,4-bis(diethoxyphosphoryl)-2-pyridin-2-yl-butanenitrile Openeye Name: 4,4-bis(diethoxyphosphoryl)-2-(2-pyridyl)butanenitrile CAS Name: 4,4-bis(diethoxyphosphoryl)-2-(2-pyridinyl)butanenitrile IUPAC Name: 4,4-bis(diethoxyphosphoryl)-2-pyridin-2-ylbutanenitrile Traditional Name: 4,4-bis(diethoxyphosphoryl)-2-(2-pyridyl)butyronitrile Formula: C17H28N2O6P2 MolecularWeight: 418.361542

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC(C#N)C1=CC=CC=N1)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(CC(C#N)C1=CC=CC=N1)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C17H28N2O6P2/c1-5-22-26(20,23-6-2)17(27(21,24-7-3)25-8-4)13-15(14-18)16-11-9-10-12-19-16/h9-12,15,17H,5-8,13H2,1-4H3