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

Systemtic Name: [2-[bis(diphosphonomethyl)amino]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[bis(diphosphonomethyl)amino]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[bis(diphosphonomethyl)amino]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[bis(diphosphonomethyl)amino]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[bis(diphosphonomethyl)amino]-1-phosphono-ethyl]phosphonic acid Formula: C4H17NO18P6 MolecularWeight: 553.016246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H17NO18P6/c6-24(7,8)2(25(9,10)11)1-5(3(26(12,13)14)27(15,16)17)4(28(18,19)20)29(21,22)23/h2-4H,1H2,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)