UH9
Summary
| Name: | [2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
| Formula: | C16 H15 F3 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 389.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15F3NO5P/c17-12-5-3-4-11(8-12)16(18,19)10-20-15(21)9-25-13-6-1-2-7-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24) |
| InChIKey | InChI | 1.06 | CWLSIOCFRIMBMV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2cccc(F)c2 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2cccc(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCC(=O)NCC(c2cccc(c2)F)(F)F)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCC(=O)NCC(c2cccc(c2)F)(F)F)P(=O)(O)O |
