[1-[bis(1,2-diphosphonoethyl)amino]-2-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-[bis(1,2-diphosphonoethyl)amino]-2-phosphono-ethyl]phosphonic acid Openeye Name: [1-[bis(1,2-diphosphonoethyl)amino]-2-phosphono-ethyl]phosphonic acid CAS Name: [1-[bis(1,2-diphosphonoethyl)amino]-2-phosphonoethyl]phosphonic acid IUPAC Name: [1-[bis(1,2-diphosphonoethyl)amino]-2-phosphonoethyl]phosphonic acid Traditional Name: [1-[bis(1,2-diphosphonoethyl)amino]-2-phosphono-ethyl]phosphonic acid Formula: C6H21NO18P6 MolecularWeight: 581.069406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H21NO18P6/c8-26(9,10)1-4(29(17,18)19)7(5(30(20,21)22)2-27(11,12)13)6(31(23,24)25)3-28(14,15)16/h4-6H,1-3H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)