[2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]-1-phosphono-ethyl]phosphonic acid Formula: C8H16N2O8P2 MolecularWeight: 330.168762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCOCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=C(N=CN1)CCOCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H16N2O8P2/c1-6-7(10-5-9-6)2-3-18-4-8(11,19(12,13)14)20(15,16)17/h5,11H,2-4H2,1H3,(H,9,10)(H2,12,13,14)(H2,15,16,17)