[1,8-bis(diphosphonomethylamino)-1,8,8-triphosphono-octyl]phosphonic acid

Systemtic Name: [1,8-bis(diphosphonomethylamino)-1,8,8-triphosphono-octyl]phosphonic acid Openeye Name: [1,8-bis(diphosphonomethylamino)-1,8,8-triphosphono-octyl]phosphonic acid CAS Name: [1,8-bis(diphosphonomethylamino)-1,8,8-triphosphonooctyl]phosphonic acid IUPAC Name: [1,8-bis(diphosphonomethylamino)-1,8,8-triphosphonooctyl]phosphonic acid Traditional Name: [1,8-bis(diphosphonomethylamino)-1,8,8-triphosphono-octyl]phosphonic acid Formula: C10H32N2O24P8 MolecularWeight: 812.150168

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(NC(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)CCC(NC(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CCCC(NC(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)CCC(NC(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H32N2O24P8/c13-37(14,15)7(38(16,17)18)11-9(41(25,26)27,42(28,29)30)5-3-1-2-4-6-10(43(31,32)33,44(34,35)36)12-8(39(19,20)21)40(22,23)24/h7-8,11-12H,1-6H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)