[1-oxidanyl-2-[4-(3-phenylpropyl)imidazol-1-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-oxidanyl-2-[4-(3-phenylpropyl)imidazol-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[4-(3-phenylpropyl)imidazol-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[4-(3-phenylpropyl)-1-imidazolyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[4-(3-phenylpropyl)imidazol-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[4-(3-phenylpropyl)imidazol-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C14H20N2O7P2 MolecularWeight: 390.265322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CN(C=N2)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CN(C=N2)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H20N2O7P2/c17-14(24(18,19)20,25(21,22)23)10-16-9-13(15-11-16)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9,11,17H,4,7-8,10H2,(H2,18,19,20)(H2,21,22,23)