[2-(diphosphonomethyl)-2,3-bis(diphosphonomethylamino)-1-phosphono-butyl]phosphonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(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)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H26N2O24P8/c1-2(8-5(38(22,23)24)39(25,26)27)7(3(34(10,11)12)35(13,14)15,4(36(16,17)18)37(19,20)21)9-6(40(28,29)30)41(31,32)33/h2-6,8-9H,1H3,(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)