2-(diphosphonomethyl)-4-phosphono-butanoic acid

Systemtic Name: 2-(diphosphonomethyl)-4-phosphono-butanoic acid Openeye Name: 2-(diphosphonomethyl)-4-phosphono-butanoic acid CAS Name: 2-(diphosphonomethyl)-4-phosphonobutanoic acid IUPAC Name: 2-(diphosphonomethyl)-4-phosphonobutanoic acid Traditional Name: 2-(diphosphonomethyl)-4-phosphono-butyric acid Formula: C5H13O11P3 MolecularWeight: 342.071403

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Descriptors Computed from Structure

Canonical SMILES:

C(CP(=O)(O)O)C(C(P(=O)(O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C(CP(=O)(O)O)C(C(P(=O)(O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C5H13O11P3/c6-4(7)3(1-2-17(8,9)10)5(18(11,12)13)19(14,15)16/h3,5H,1-2H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)