Benzoicacid, 3,5-dinitro-4-(9H-purin-6-ylthio)-, hexadecylester structure
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Common Name | Benzoicacid, 3,5-dinitro-4-(9H-purin-6-ylthio)-, hexadecylester | ||
|---|---|---|---|---|
| CAS Number | 59921-67-4 | Molecular Weight | 586.70300 | |
| Density | 1.32g/cm3 | Boiling Point | 684.7ºC at 760mmHg | |
| Molecular Formula | C28H38N6O6S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 367.9ºC | |
| Name | hexadecyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate |
|---|
| Density | 1.32g/cm3 |
|---|---|
| Boiling Point | 684.7ºC at 760mmHg |
| Molecular Formula | C28H38N6O6S |
| Molecular Weight | 586.70300 |
| Flash Point | 367.9ºC |
| Exact Mass | 586.25700 |
| PSA | 197.70000 |
| LogP | 9.00500 |
| Index of Refraction | 1.627 |
| InChIKey | HIDUXCQHZFYSHP-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCOC(=O)c1cc([N+](=O)[O-])c(Sc2ncnc3nc[nH]c23)c([N+](=O)[O-])c1 |