disodium 2-[[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl-oxidanyl-phosphoryl]oxymethyl]propanedioate

Systemtic Name: disodium 2-[[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl-oxidanyl-phosphoryl]oxymethyl]propanedioate Openeye Name: disodium 2-[[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl-hydroxy-phosphoryl]oxymethyl]propanedioate CAS Name: disodium 2-[[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl-hydroxyphosphoryl]oxymethyl]propanedioate IUPAC Name: disodium 2-[[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl-hydroxyphosphoryl]oxymethyl]propanedioate Traditional Name: disodium 2-[[hydroxy-[2-(2-imidazolin-2-yl)ethyl]phosphoryl]oxymethyl]malonate Formula: C9H13N2Na2O7P MolecularWeight: 338.162021

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CCP(=O)(O)OCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CN=C(N1)CCP(=O)(O)OCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C9H15N2O7P.2Na/c12-8(13)6(9(14)15)5-18-19(16,17)4-1-7-10-2-3-11-7;;/h6H,1-5H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;/q;2*+1/p-2