[[[2-[bis(diphosphonomethyl)amino]-4-oxidanyl-butyl]amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[[2-[bis(diphosphonomethyl)amino]-4-oxidanyl-butyl]amino]-phosphono-methyl]phosphonic acid Openeye Name: [[[2-[bis(diphosphonomethyl)amino]-4-hydroxy-butyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [[[2-[bis(diphosphonomethyl)amino]-4-hydroxybutyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[[2-[bis(diphosphonomethyl)amino]-4-hydroxybutyl]amino]-phosphonomethyl]phosphonic acid Traditional Name: [[[2-[bis(diphosphonomethyl)amino]-4-hydroxy-butyl]amino]-phosphono-methyl]phosphonic acid Formula: C7H24N2O19P6 MolecularWeight: 626.110026

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)C(CNC(P(=O)(O)O)P(=O)(O)O)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CO)C(CNC(P(=O)(O)O)P(=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/C7H24N2O19P6/c10-2-1-4(3-8-5(29(11,12)13)30(14,15)16)9(6(31(17,18)19)32(20,21)22)7(33(23,24)25)34(26,27)28/h4-8,10H,1-3H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)