[2-(diphosphonomethyl)-2,7-bis(diphosphonomethylamino)-1-phosphono-heptyl]phosphonic acid

Systemtic Name: [2-(diphosphonomethyl)-2,7-bis(diphosphonomethylamino)-1-phosphono-heptyl]phosphonic acid Openeye Name: [[[1,1-bis(diphosphonomethyl)-6-(diphosphonomethylamino)hexyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [2-(diphosphonomethyl)-2,7-bis(diphosphonomethylamino)-1-phosphonoheptyl]phosphonic acid IUPAC Name: [2-(diphosphonomethyl)-2,7-bis(diphosphonomethylamino)-1-phosphonoheptyl]phosphonic acid Traditional Name: [[[1,1-bis(diphosphonomethyl)-6-(diphosphonomethylamino)hexyl]amino]-phosphono-methyl]phosphonic acid Formula: C10H32N2O24P8 MolecularWeight: 812.150168

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(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)CCNC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CCC(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)CCNC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H32N2O24P8/c13-37(14,15)6(38(16,17)18)10(7(39(19,20)21)40(22,23)24,12-9(43(31,32)33)44(34,35)36)4-2-1-3-5-11-8(41(25,26)27)42(28,29)30/h6-9,11-12H,1-5H2,(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)