XSL
Summary
| Name: | [2-[2-[[2,2-bis(fluoranyl)-2-(2-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-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15F3NO5P/c17-12-6-2-1-5-11(12)16(18,19)10-20-15(21)9-25-13-7-3-4-8-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24) |
| InChIKey | InChI | 1.06 | CHCODIRNBLMWLY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2F |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(CNC(=O)COc2ccccc2P(=O)(O)O)(F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(CNC(=O)COc2ccccc2P(=O)(O)O)(F)F)F |
