disodium [2-(2-methylimidazol-1-yl)-1-oxidanyl-1-phosphonato-ethyl]phosphonic acid dihydrate

Systemtic Name: disodium [2-(2-methylimidazol-1-yl)-1-oxidanyl-1-phosphonato-ethyl]phosphonic acid dihydrate Openeye Name: disodium [1-hydroxy-2-(2-methylimidazol-1-yl)-1-phosphonato-ethyl]phosphonic acid dihydrate CAS Name: disodium [1-hydroxy-2-(2-methyl-1-imidazolyl)-1-phosphonatoethyl]phosphonic acid dihydrate IUPAC Name: disodium [1-hydroxy-2-(2-methylimidazol-1-yl)-1-phosphonatoethyl]phosphonic acid dihydrate Traditional Name: disodium [1-hydroxy-2-(2-methylimidazol-1-yl)-1-phosphonato-ethyl]phosphonic acid dihydrate Formula: C6H14N2Na2O9P2 MolecularWeight: 366.110422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC(O)(P(=O)(O)O)P(=O)([O-])[O-].O.O.[Na+].[Na+]

Isomeric SMILES

CC1=NC=CN1CC(O)(P(=O)(O)O)P(=O)([O-])[O-].O.O.[Na+].[Na+]

InChI

InChI=1S/C6H12N2O7P2.2Na.2H2O/c1-5-7-2-3-8(5)4-6(9,16(10,11)12)17(13,14)15;;;;/h2-3,9H,4H2,1H3,(H2,10,11,12)(H2,13,14,15);;;2*1H2/q;2*+1;;/p-2