[2-(4-methylimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(4-methylimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(4-methylimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(4-methyl-1-imidazolyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4-methylimidazol-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-methylimidazol-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C6H12N2O6P2 MolecularWeight: 270.116802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CN(C=N1)CC(P(=O)(O)O)P(=O)(O)O

InChI

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