[[[2-[bis(diphosphonomethyl)amino]-2-ethyl-1-oxidanyl-butyl]amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[[2-[bis(diphosphonomethyl)amino]-2-ethyl-1-oxidanyl-butyl]amino]-phosphono-methyl]phosphonic acid Openeye Name: [[[2-[bis(diphosphonomethyl)amino]-2-ethyl-1-hydroxy-butyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [[[2-[bis(diphosphonomethyl)amino]-2-ethyl-1-hydroxybutyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[[2-[bis(diphosphonomethyl)amino]-2-ethyl-1-hydroxybutyl]amino]-phosphonomethyl]phosphonic acid Traditional Name: [[[2-[bis(diphosphonomethyl)amino]-2-ethyl-1-hydroxy-butyl]amino]-phosphono-methyl]phosphonic acid Formula: C9H28N2O19P6 MolecularWeight: 654.163186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(NC(P(=O)(O)O)P(=O)(O)O)O)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C(NC(P(=O)(O)O)P(=O)(O)O)O)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H28N2O19P6/c1-3-9(4-2,5(12)10-6(31(13,14)15)32(16,17)18)11(7(33(19,20)21)34(22,23)24)8(35(25,26)27)36(28,29)30/h5-8,10,12H,3-4H2,1-2H3,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)