
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 53862-80-9 |
| Catalog No. | 2A-9012352 |
| Chinese Name | 甲硫咯克索铵 |
| Synonyms | Roxolonium metilsulfate; Metilsulfato de rozolonio; Metilsulfate de roxolonium; Roxoloni metilsulfas |
| Molecular Formula | C38H63NO8S |
| Molecular Weight | 693.97400 |
| Purity | 98.00 |
| SMILES | CC1(C(=O)OCC2CCC[N+]2(C)C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COS(=O)(=O)[O-] |
| InChI | InChI=1S/C37H60NO4.CH4O4S/c1-32(2)28-12-15-37(7)30(35(28,5)14-13-29(32)40)27(39)21-25-26-22-34(4,17-16-33(26,3)18-19-36(25,37)6)31(41)42-23-24-11-10-20-38(24,8)9;1-5-6(2,3)4/h21,24,26,28-30,40H,10-20,22-23H2,1-9H3;1H3,(H,2,3,4)/q+1;/p-1/t24?,26-,28-,29-,30+,33+,34-,35-,36+,37+;/m0./s1 |
| InChI Key | OFXFYMRNHDKBQX-WKUMGRCGSA-M |
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