[2-(diphosphonomethyl)-2,4-bis(diphosphonomethylamino)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [2-(diphosphonomethyl)-2,4-bis(diphosphonomethylamino)-1-phosphono-butyl]phosphonic acid Openeye Name: [[[1,1-bis(diphosphonomethyl)-3-(diphosphonomethylamino)propyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [2-(diphosphonomethyl)-2,4-bis(diphosphonomethylamino)-1-phosphonobutyl]phosphonic acid IUPAC Name: [2-(diphosphonomethyl)-2,4-bis(diphosphonomethylamino)-1-phosphonobutyl]phosphonic acid Traditional Name: [[[1,1-bis(diphosphonomethyl)-3-(diphosphonomethylamino)propyl]amino]-phosphono-methyl]phosphonic acid Formula: C7H26N2O24P8 MolecularWeight: 770.070428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CNC(P(=O)(O)O)P(=O)(O)O)C(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(CNC(P(=O)(O)O)P(=O)(O)O)C(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/C7H26N2O24P8/c10-34(11,12)3(35(13,14)15)7(4(36(16,17)18)37(19,20)21,9-6(40(28,29)30)41(31,32)33)1-2-8-5(38(22,23)24)39(25,26)27/h3-6,8-9H,1-2H2,(H2,10,11,12)(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)