A1EE9
Summary
| Name: | (2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid |
| Formula: | C5 H10 N2 O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 256.09 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)3-7-2-1-6-4-7/h1-2,4-5H,3H2,(H2,8,9,10)(H2,11,12,13) |
| InChIKey | InChI | 1.06 | FBSQLNMIJFINOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)C(Cn1ccnc1)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)C(Cn1ccnc1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cn(cn1)CC(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cn(cn1)CC(P(=O)(O)O)P(=O)(O)O |
