HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86660745Generated: October 26, 2026
(3S,5S,6R,8S)-8-Allyl-3-(tert-butyl)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-8-methyl-2,3,5,6,7,8-hexahydrooxazolo[3,2-a]pyridin-4-ium triflate
https://huagongshe.com/en/chemical/86660745
Identifiers & Physical Properties
| Molecular formula | C28H32Cl2F3NO4S |
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| Average molar mass | 606.5 g/mol |
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| SMILES | C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)[N+]2=C1OC[C@@H]2C(C)(C)C.O=S(=O)([O-])C(F)(F)F |
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| InChIKey | CDKOSHVPUIAPJI-CAXPNAMSSA-M |
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| PubChem CID | 86660745 |
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Chemical & Physical Properties
| Topological polar surface area | 77.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 39 |
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| Formal charge | 0 |
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| Complexity | 834 |
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![(3S,5S,6R,8S)-8-Allyl-3-(tert-butyl)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-8-methyl-2,3,5,6,7,8-hexahydrooxazolo[3,2-a]pyridin-4-ium triflate molecular structure](/img/chemical/86660745.png)