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

Systemtic Name: 4,4-bis(diethoxyphosphoryl)-2-thiophen-2-yl-butanenitrile Openeye Name: 4,4-bis(diethoxyphosphoryl)-2-(2-thienyl)butanenitrile CAS Name: 4,4-bis(diethoxyphosphoryl)-2-thiophen-2-ylbutanenitrile IUPAC Name: 4,4-bis(diethoxyphosphoryl)-2-thiophen-2-ylbutanenitrile Traditional Name: 4,4-bis(diethoxyphosphoryl)-2-(2-thienyl)butyronitrile Formula: C16H27NO6P2S MolecularWeight: 423.401202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO6P2S/c1-5-20-24(18,21-6-2)16(25(19,22-7-3)23-8-4)12-14(13-17)15-10-9-11-26-15/h9-11,14,16H,5-8,12H2,1-4H3