calcium (2-imidazol-1-yl-1-oxidanyl-1-phosphono-ethyl)-oxidanyl-phosphinate

Systemtic Name: calcium (2-imidazol-1-yl-1-oxidanyl-1-phosphono-ethyl)-oxidanyl-phosphinate Openeye Name: calcium hydroxy-(1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphinate CAS Name: calcium hydroxy-[1-hydroxy-2-(1-imidazolyl)-1-phosphonoethyl]phosphinate IUPAC Name: calcium hydroxy-(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphinate Traditional Name: calcium hydroxy-(1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphinate Formula: C10H18CaN4O14P4 MolecularWeight: 582.241364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].[Ca+2]

Isomeric SMILES

C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].[Ca+2]

InChI

InChI=1S/2C5H10N2O7P2.Ca/c2*8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;/h2*1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);/q;;+2/p-2