bis(diphosphonomethyl)-[2-(diphosphonomethylamino)ethyl]-(2-hydroxyethyl)azanium

Systemtic Name: bis(diphosphonomethyl)-[2-(diphosphonomethylamino)ethyl]-(2-hydroxyethyl)azanium Openeye Name: bis(diphosphonomethyl)-[2-(diphosphonomethylamino)ethyl]-(2-hydroxyethyl)ammonium CAS Name: bis(diphosphonomethyl)-[2-(diphosphonomethylamino)ethyl]-(2-hydroxyethyl)ammonium IUPAC Name: bis(diphosphonomethyl)-[2-(diphosphonomethylamino)ethyl]-(2-hydroxyethyl)azanium Traditional Name: bis(diphosphonomethyl)-[2-(diphosphonomethylamino)ethyl]-(2-hydroxyethyl)ammonium Formula: C7H25N2O19P6+ MolecularWeight: 627.117966

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Descriptors Computed from Structure

Canonical SMILES:

C(C[N+](CCO)(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(C[N+](CCO)(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H24N2O19P6/c10-4-3-9(6(31(17,18)19)32(20,21)22,7(33(23,24)25)34(26,27)28)2-1-8-5(29(11,12)13)30(14,15)16/h5-8,10H,1-4H2,(H11-,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28)/p+1