[1-azanyl-2-[1-(phenylmethyl)imidazol-4-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-azanyl-2-[1-(phenylmethyl)imidazol-4-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-amino-2-(1-benzylimidazol-4-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-amino-2-[1-(phenylmethyl)-4-imidazolyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-amino-2-(1-benzylimidazol-4-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-amino-2-(1-benzylimidazol-4-yl)-1-phosphono-ethyl]phosphonic acid Formula: C12H17N3O6P2 MolecularWeight: 361.227402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=C2)CC(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=C2)CC(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H17N3O6P2/c13-12(22(16,17)18,23(19,20)21)6-11-8-15(9-14-11)7-10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2,(H2,16,17,18)(H2,19,20,21)