4,4-bis(diethoxyphosphoryl)-2-phenyl-butanenitrile

Systemtic Name: 4,4-bis(diethoxyphosphoryl)-2-phenyl-butanenitrile Openeye Name: 4,4-bis(diethoxyphosphoryl)-2-phenyl-butanenitrile CAS Name: 4,4-bis(diethoxyphosphoryl)-2-phenylbutanenitrile IUPAC Name: 4,4-bis(diethoxyphosphoryl)-2-phenylbutanenitrile Traditional Name: 4,4-bis(diethoxyphosphoryl)-2-phenyl-butyronitrile Formula: C18H29NO6P2 MolecularWeight: 417.373482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO6P2/c1-5-22-26(20,23-6-2)18(27(21,24-7-3)25-8-4)14-17(15-19)16-12-10-9-11-13-16/h9-13,17-18H,5-8,14H2,1-4H3