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

Systemtic Name: disodium [1-oxidanyl-2-(2-phenyl-1H-imidazol-5-yl)-1-phosphonato-ethyl]phosphonic acid dihydrate Openeye Name: disodium [1-hydroxy-2-(2-phenyl-1H-imidazol-5-yl)-1-phosphonato-ethyl]phosphonic acid dihydrate CAS Name: disodium [1-hydroxy-2-(2-phenyl-1H-imidazol-5-yl)-1-phosphonatoethyl]phosphonic acid dihydrate IUPAC Name: disodium [1-hydroxy-2-(2-phenyl-1H-imidazol-5-yl)-1-phosphonatoethyl]phosphonic acid dihydrate Traditional Name: disodium [1-hydroxy-2-(2-phenyl-1H-imidazol-5-yl)-1-phosphonato-ethyl]phosphonic acid dihydrate Formula: C11H16N2Na2O9P2 MolecularWeight: 428.179802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(N2)CC(O)(P(=O)(O)O)P(=O)([O-])[O-].O.O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(N2)CC(O)(P(=O)(O)O)P(=O)([O-])[O-].O.O.[Na+].[Na+]

InChI

InChI=1S/C11H14N2O7P2.2Na.2H2O/c14-11(21(15,16)17,22(18,19)20)6-9-7-12-10(13-9)8-4-2-1-3-5-8;;;;/h1-5,7,14H,6H2,(H,12,13)(H2,15,16,17)(H2,18,19,20);;;2*1H2/q;2*+1;;/p-2