[1-(hydroxymethylamino)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [1-(hydroxymethylamino)-1-phosphono-butyl]phosphonic acid Openeye Name: [1-(hydroxymethylamino)-1-phosphono-butyl]phosphonic acid CAS Name: [1-(hydroxymethylamino)-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-(hydroxymethylamino)-1-phosphonobutyl]phosphonic acid Traditional Name: [1-(methylolamino)-1-phosphono-butyl]phosphonic acid Formula: C5H15NO7P2 MolecularWeight: 263.122622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NCO)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCC(NCO)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C5H15NO7P2/c1-2-3-5(6-4-7,14(8,9)10)15(11,12)13/h6-7H,2-4H2,1H3,(H2,8,9,10)(H2,11,12,13)