2-[2,2-bis(diethoxyphosphoryl)-1-thiophen-2-yl-ethyl]propanedinitrile

Systemtic Name: 2-[2,2-bis(diethoxyphosphoryl)-1-thiophen-2-yl-ethyl]propanedinitrile Openeye Name: 2-[2,2-bis(diethoxyphosphoryl)-1-(2-thienyl)ethyl]propanedinitrile CAS Name: 2-[2,2-bis(diethoxyphosphoryl)-1-thiophen-2-ylethyl]propanedinitrile IUPAC Name: 2-[2,2-bis(diethoxyphosphoryl)-1-thiophen-2-ylethyl]propanedinitrile Traditional Name: 2-[2,2-bis(diethoxyphosphoryl)-1-(2-thienyl)ethyl]malononitrile Formula: C17H26N2O6P2S MolecularWeight: 448.410662

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(C1=CC=CS1)C(C#N)C#N)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(C(C1=CC=CS1)C(C#N)C#N)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C17H26N2O6P2S/c1-5-22-26(20,23-6-2)17(27(21,24-7-3)25-8-4)16(14(12-18)13-19)15-10-9-11-28-15/h9-11,14,16-17H,5-8H2,1-4H3