[[1-(diphosphonomethyl)aziridin-1-ium-1-yl]-phosphono-methyl]phosphonic acid chloride

Systemtic Name: [[1-(diphosphonomethyl)aziridin-1-ium-1-yl]-phosphono-methyl]phosphonic acid chloride Openeye Name: [[1-(diphosphonomethyl)aziridin-1-ium-1-yl]-phosphono-methyl]phosphonic acid chloride CAS Name: [[1-(diphosphonomethyl)-1-aziridin-1-iumyl]-phosphonomethyl]phosphonic acid chloride IUPAC Name: [[1-(diphosphonomethyl)aziridin-1-ium-1-yl]-phosphonomethyl]phosphonic acid chloride Traditional Name: [[1-(diphosphonomethyl)ethylenimin-1-ium-1-yl]-phosphono-methyl]phosphonic acid chloride Formula: C4H14ClNO12P4 MolecularWeight: 427.501504

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]1(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O.[Cl-]

Isomeric SMILES

C1C[N+]1(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O.[Cl-]

InChI

InChI=1S/C4H13NO12P4.ClH/c6-18(7,8)3(19(9,10)11)5(1-2-5)4(20(12,13)14)21(15,16)17;/h3-4H,1-2H2,(H7-,6,7,8,9,10,11,12,13,14,15,16,17);1H