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

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

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Descriptors Computed from Structure

Canonical SMILES:

C(C(P(=O)(O)O)P(=O)(O)O)N(CC(P(=O)(O)O)P(=O)(O)O)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(C(P(=O)(O)O)P(=O)(O)O)N(CC(P(=O)(O)O)P(=O)(O)O)CC(P(=O)(O)O)P(=O)(O)O

InChI

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