[1-oxidanyl-3-[1-(phenylmethyl)imidazol-2-yl]-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-oxidanyl-3-[1-(phenylmethyl)imidazol-2-yl]-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(1-benzylimidazol-2-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[1-(phenylmethyl)-2-imidazolyl]-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(1-benzylimidazol-2-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(1-benzylimidazol-2-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C13H18N2O7P2 MolecularWeight: 376.238742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H18N2O7P2/c16-13(23(17,18)19,24(20,21)22)7-6-12-14-8-9-15(12)10-11-4-2-1-3-5-11/h1-5,8-9,16H,6-7,10H2,(H2,17,18,19)(H2,20,21,22)