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

Systemtic Name: [2-(2,2-diphosphonoethylamino)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(2,2-diphosphonoethylamino)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(2,2-diphosphonoethylamino)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(2,2-diphosphonoethylamino)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(2,2-diphosphonoethylamino)-1-phosphono-ethyl]phosphonic acid Formula: C4H15NO12P4 MolecularWeight: 393.056444

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Descriptors Computed from Structure

Canonical SMILES:

C(C(P(=O)(O)O)P(=O)(O)O)NCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(C(P(=O)(O)O)P(=O)(O)O)NCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C4H15NO12P4/c6-18(7,8)3(19(9,10)11)1-5-2-4(20(12,13)14)21(15,16)17/h3-5H,1-2H2,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)