Obsolete: IEF
Summary
| Name: | propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate |
| Formula: | C16 H32 F O2 P |
| Formal charge: | 0 |
| Formula weight: | 306.396 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate |
| OpenEye OEToolkits | 1.9.2 | 13-[fluoranyl(propan-2-yloxy)phosphoryl]tridec-1-ene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FP(=O)(OC(C)C)CCCCCCCCCCC\C=C |
| InChI | InChI | 1.03 | InChI=1S/C16H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(17,18)19-16(2)3/h4,16H,1,5-15H2,2-3H3/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | IHOILKZKSINPCV-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)O[P@](F)(=O)CCCCCCCCCCCC=C |
| SMILES | CACTVS | 3.385 | CC(C)O[P](F)(=O)CCCCCCCCCCCC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)O[P@](=O)(CCCCCCCCCCCC=C)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)OP(=O)(CCCCCCCCCCCC=C)F |
