HCID57872247

Sodium 2-(1-adamantanecarbonyloxy)-1,1-difluoroethanesulfonate

sodium 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate

C13H17F2NaO5S346.32 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.[Na+]
InChIKey: IIHKWVQPDJXKGL-UHFFFAOYSA-M
分子式: C13H17F2NaO5S
平均分子量: 346.32 g/mol
单同位素质量: 346.06624542

COMPUTED

结构计算性质

已同步

极性表面积: 91.9 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 5
重原子: 22
形式电荷: 0
复杂度: 516

ALIASES

名称与别名

共 10 条

1048642-04-1sodium 2-(1-adamantanecarbonyloxy)-1,1-difluoroethanesulfonateSodium 2-((adamantane-1-carbonyl)oxy)-1,1-difluoroethanesulfonateSodium 2-[(Adamantane-1-carbonyl)oxy]-1,1-difluoroethanesulfonate1048642-05-2SCHEMBL1398390SY455486sodium 2-(1-adamantanecarbonyloxy)-1,1-difluoro-ethanesulfonateSodium 2-((adamantane-1-carbonyl)oxy)-1,1-difluoroethane-1-sulfonateTricyclo[3.3.1.13,7]decane-1-carboxylic acid, 2,2-difluoro-2-sulfoethyl ester, sodium salt (1:1)

REACTIONS