A1H8K
Summary
| Name: | fluorinated fos-choline-8 |
| Synonyms: | trimethyl-[2-[oxidanyl-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octoxy]phosphoryl]oxyethyl]azanium |
| Formula: | C13 H18 F13 N O4 P |
| Formal charge: | 1 |
| Formula weight: | 530.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | trimethyl-[2-[oxidanyl-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octoxy]phosphoryl]oxyethyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H17F13NO4P/c1-27(2,3)5-7-31-32(28,29)30-6-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h4-7H2,1-3H3/p+1 |
| InChIKey | InChI | 1.06 | PNELEOXACJRMOZ-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+](C)(C)CCO[P](O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[N+](C)(C)CCO[P](O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N+](C)(C)CCOP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[N+](C)(C)CCOP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
