HCID91526

Benzenesulfonate

C6H5O3S-157.17 g/molCAS 3198-32-1

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IDENTITY

结构与身份

标准SMILES: O=S(=O)([O-])c1ccccc1
InChIKey: SRSXLGNVWSONIS-UHFFFAOYSA-M
分子式: C6H5O3S-
平均分子量: 157.17 g/mol
单同位素质量: 156.99594019

COMPUTED

结构计算性质

等待补全

XLogP: -0.1
极性表面积: 65.6 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 0
重原子: 10
形式电荷: -1
复杂度: 170

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 14 条

BenzenesulfonateBenzenesulfonic acid, ion(1-)CHEBI:64457RefChem:916895besylatebenzensulfonate3198-32-1benzenesulphonatebenzene sulfonatephenylsulfonatebenzenemonosulfonateDTXSID4043727AKOS022142045Q27133295

REACTIONS

相关反应

32 条

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

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207168B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1977_04 · 10.6084/m9.figshare.5104873.v1 · US04016165

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uspto-grants-1990_01 · 10.6084/m9.figshare.5104873.v1 · US04891366

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