4,4-bis(diethoxyphosphoryl)-1-pyridin-2-yl-butan-1-one

Systemtic Name: 4,4-bis(diethoxyphosphoryl)-1-pyridin-2-yl-butan-1-one Openeye Name: 4,4-bis(diethoxyphosphoryl)-1-(2-pyridyl)butan-1-one CAS Name: 4,4-bis(diethoxyphosphoryl)-1-(2-pyridinyl)-1-butanone IUPAC Name: 4,4-bis(diethoxyphosphoryl)-1-pyridin-2-ylbutan-1-one Traditional Name: 4,4-bis(diethoxyphosphoryl)-1-(2-pyridyl)butan-1-one Formula: C17H29NO7P2 MolecularWeight: 421.362182

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCC(=O)C1=CC=CC=N1)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(CCC(=O)C1=CC=CC=N1)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C17H29NO7P2/c1-5-22-26(20,23-6-2)17(27(21,24-7-3)25-8-4)13-12-16(19)15-11-9-10-14-18-15/h9-11,14,17H,5-8,12-13H2,1-4H3