4,4-bis(diethoxyphosphoryl)-1-pyridin-3-yl-butan-1-one

Systemtic Name: 4,4-bis(diethoxyphosphoryl)-1-pyridin-3-yl-butan-1-one Openeye Name: 4,4-bis(diethoxyphosphoryl)-1-(3-pyridyl)butan-1-one CAS Name: 4,4-bis(diethoxyphosphoryl)-1-(3-pyridinyl)-1-butanone IUPAC Name: 4,4-bis(diethoxyphosphoryl)-1-pyridin-3-ylbutan-1-one Traditional Name: 4,4-bis(diethoxyphosphoryl)-1-(3-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=CN=CC=C1)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(CCC(=O)C1=CN=CC=C1)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)12-11-16(19)15-10-9-13-18-14-15/h9-10,13-14,17H,5-8,11-12H2,1-4H3