[1-[3-(1,2-diphosphonoethylamino)propylamino]-2-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-[3-(1,2-diphosphonoethylamino)propylamino]-2-phosphono-ethyl]phosphonic acid Openeye Name: [1-[3-(1,2-diphosphonoethylamino)propylamino]-2-phosphono-ethyl]phosphonic acid CAS Name: [1-[3-(1,2-diphosphonoethylamino)propylamino]-2-phosphonoethyl]phosphonic acid IUPAC Name: [1-[3-(1,2-diphosphonoethylamino)propylamino]-2-phosphonoethyl]phosphonic acid Traditional Name: [1-[3-(1,2-diphosphonoethylamino)propylamino]-2-phosphono-ethyl]phosphonic acid Formula: C7H22N2O12P4 MolecularWeight: 450.150824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H22N2O12P4/c10-22(11,12)4-6(24(16,17)18)8-2-1-3-9-7(25(19,20)21)5-23(13,14)15/h6-9H,1-5H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)