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

Systemtic Name: [2-[1-(phenylmethyl)imidazol-2-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1-benzylimidazol-2-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[1-(phenylmethyl)-2-imidazolyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1-benzylimidazol-2-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1-benzylimidazol-2-yl)-1-phosphono-ethyl]phosphonic acid Formula: C12H16N2O6P2 MolecularWeight: 346.212762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H16N2O6P2/c15-21(16,17)12(22(18,19)20)8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7,12H,8-9H2,(H2,15,16,17)(H2,18,19,20)