HCID22708453

2-(4-Methylsulfonyloxyphenyl)ethylmethanesulfonate

3-(4-methylsulfonyloxyphenyl)propane-1-sulfonate

C10H13O6S2-293.3 g/mol

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IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)Oc1ccc(CCCS(=O)(=O)[O-])cc1
InChIKey: BQHDGPXFPFAVOA-UHFFFAOYSA-M
分子式: C10H13O6S2-
平均分子量: 293.3 g/mol
单同位素质量: 293.01535548

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 117 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 5
重原子: 18
形式电荷: -1
复杂度: 420

ALIASES

名称与别名

共 4 条

BQHDGPXFPFAVOA-UHFFFAOYSA-M2-(4-methanesulfonyloxyphenyl)ethylmethanesulfonate2-(4-methylsulfonyloxyphenyl)ethylmethanesulfonate2-(4-methanesulfonyloxyphenyl)ethyl-methanesulfonate

REACTIONS

参与反应

11 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06660879B2

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uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06630600B1

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uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06630600B1

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uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06630600B1

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uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06630600B1

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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