disodium [2-(2-methyl-1H-imidazol-5-yl)-1-oxidanyl-1-phosphonato-ethyl]phosphonic acid hydrate

Systemtic Name: disodium [2-(2-methyl-1H-imidazol-5-yl)-1-oxidanyl-1-phosphonato-ethyl]phosphonic acid hydrate Openeye Name: disodium [1-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-1-phosphonato-ethyl]phosphonic acid hydrate CAS Name: disodium [1-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-1-phosphonatoethyl]phosphonic acid hydrate IUPAC Name: disodium [1-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-1-phosphonatoethyl]phosphonic acid hydrate Traditional Name: disodium [1-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-1-phosphonato-ethyl]phosphonic acid hydrate Formula: C6H12N2Na2O8P2 MolecularWeight: 348.095142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1)CC(O)(P(=O)(O)O)P(=O)([O-])[O-].O.[Na+].[Na+]

Isomeric SMILES

CC1=NC=C(N1)CC(O)(P(=O)(O)O)P(=O)([O-])[O-].O.[Na+].[Na+]

InChI

InChI=1S/C6H12N2O7P2.2Na.H2O/c1-4-7-3-5(8-4)2-6(9,16(10,11)12)17(13,14)15;;;/h3,9H,2H2,1H3,(H,7,8)(H2,10,11,12)(H2,13,14,15);;;1H2/q;2*+1;/p-2