[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)propoxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)propoxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)propoxy]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)propoxy]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)propoxy]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[2-(2-methyl-2-imidazolin-1-yl)propoxy]-1-phosphono-ethyl]phosphonic acid Formula: C9H20N2O8P2 MolecularWeight: 346.211222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NCCN1C(C)COCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=NCCN1C(C)COCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H20N2O8P2/c1-7(11-4-3-10-8(11)2)5-19-6-9(12,20(13,14)15)21(16,17)18/h7,12H,3-6H2,1-2H3,(H2,13,14,15)(H2,16,17,18)