[2-(2-ethyl-4-methyl-imidazol-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid; technetium-99; dihydrate

Systemtic Name: [2-(2-ethyl-4-methyl-imidazol-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid; technetium-99; dihydrate Openeye Name: [2-(2-ethyl-4-methyl-imidazol-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid; technetium-99; dihydrate CAS Name: [2-(2-ethyl-4-methyl-1-imidazolyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid; technetium-99; dihydrate IUPAC Name: [2-(2-ethyl-4-methylimidazol-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid; technetium-99; dihydrate Traditional Name: [2-(2-ethyl-4-methyl-imidazol-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid; technetium-99; dihydrate Formula: C16H36N4O16P4Tc MolecularWeight: 763.275539

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CN1CC(O)(P(=O)(O)O)P(=O)(O)O)C.CCC1=NC(=CN1CC(O)(P(=O)(O)O)P(=O)(O)O)C.O.O.[Tc]

Isomeric SMILES

CCC1=NC(=CN1CC(O)(P(=O)(O)O)P(=O)(O)O)C.CCC1=NC(=CN1CC(O)(P(=O)(O)O)P(=O)(O)O)C.O.O.[99Tc]

InChI

InChI=1S/2C8H16N2O7P2.2H2O.Tc/c2*1-3-7-9-6(2)4-10(7)5-8(11,18(12,13)14)19(15,16)17;;;/h2*4,11H,3,5H2,1-2H3,(H2,12,13,14)(H2,15,16,17);2*1H2;/i;;;;1+1