[2-[2-(1H-imidazol-2-yl)propoxy]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[2-(1H-imidazol-2-yl)propoxy]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[2-(1H-imidazol-2-yl)propoxy]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[2-(1H-imidazol-2-yl)propoxy]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[2-(1H-imidazol-2-yl)propoxy]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[2-(1H-imidazol-2-yl)propoxy]-1-phosphono-ethyl]phosphonic acid Formula: C8H16N2O7P2 MolecularWeight: 314.169362

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC(P(=O)(O)O)P(=O)(O)O)C1=NC=CN1

Isomeric SMILES

CC(COCC(P(=O)(O)O)P(=O)(O)O)C1=NC=CN1

InChI

InChI=1S/C8H16N2O7P2/c1-6(8-9-2-3-10-8)4-17-5-7(18(11,12)13)19(14,15)16/h2-3,6-7H,4-5H2,1H3,(H,9,10)(H2,11,12,13)(H2,14,15,16)