[2-(4-imidazol-1-ylbutoxy)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(4-imidazol-1-ylbutoxy)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(4-imidazol-1-ylbutoxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[4-(1-imidazolyl)butoxy]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(4-imidazol-1-ylbutoxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(4-imidazol-1-ylbutoxy)-1-phosphono-ethyl]phosphonic acid Formula: C9H18N2O8P2 MolecularWeight: 344.195342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCCOCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CN(C=N1)CCCCOCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H18N2O8P2/c12-9(20(13,14)15,21(16,17)18)7-19-6-2-1-4-11-5-3-10-8-11/h3,5,8,12H,1-2,4,6-7H2,(H2,13,14,15)(H2,16,17,18)