[2-(1H-imidazol-5-ylmethoxy)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(1H-imidazol-5-ylmethoxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1H-imidazol-5-ylmethoxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1H-imidazol-5-ylmethoxy)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1H-imidazol-5-ylmethoxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1H-imidazol-5-ylmethoxy)-1-phosphono-ethyl]phosphonic acid Formula: C6H12N2O7P2 MolecularWeight: 286.116202

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)COCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=C(NC=N1)COCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H12N2O7P2/c9-16(10,11)6(17(12,13)14)3-15-2-5-1-7-4-8-5/h1,4,6H,2-3H2,(H,7,8)(H2,9,10,11)(H2,12,13,14)