[2-(2-methylimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(2-methylimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(2-methylimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(2-methyl-1-imidazolyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(2-methylimidazol-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(2-methylimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C6H12N2O6P2 MolecularWeight: 270.116802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=NC=CN1CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H12N2O6P2/c1-5-7-2-3-8(5)4-6(15(9,10)11)16(12,13)14/h2-3,6H,4H2,1H3,(H2,9,10,11)(H2,12,13,14)