(2-imidazol-1-yl-1-oxidanyl-1-phosphono-ethyl)phosphonic acid trihydrate

Systemtic Name: (2-imidazol-1-yl-1-oxidanyl-1-phosphono-ethyl)phosphonic acid trihydrate Openeye Name: (1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid trihydrate CAS Name: [1-hydroxy-2-(1-imidazolyl)-1-phosphonoethyl]phosphonic acid trihydrate IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid trihydrate Traditional Name: (1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid trihydrate Formula: C5H16N2O10P2 MolecularWeight: 326.135462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O.O.O.O

Isomeric SMILES

C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O.O.O.O

InChI

InChI=1S/C5H10N2O7P2.3H2O/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;;;/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);3*1H2