2,3,4,5-四氯-6-[[[3-[[(十七氟辛 基)磺酰]氧]苯基]氨基]羰基]苯甲酸 单钾盐
Benzoic acid, 2,3,4,5-tetrachloro-6-[[[3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]oxy]phenyl]amino]carbonyl]-, potassium salt (1:1) · CAS 57589-85-2
- 中文名
- 2,3,4,5-四氯-6-[[[3-[[(十七氟辛 基)磺酰]氧]苯基]氨基]羰基]苯甲酸 单钾盐
- 中文别名
- 暂无
- 英文名
- Benzoic acid, 2,3,4,5-tetrachloro-6-[[[3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]oxy]phenyl]amino]carbonyl]-, potassium salt (1:1)
- CAS
- 57589-85-2
- CID
- 23673601
- IUPAC 名称
- potassium 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyloxy)phenyl]carbamoyl]benzoate
名称与编号
- 中文名
- 2,3,4,5-四氯-6-[[[3-[[(十七氟辛 基)磺酰]氧]苯基]氨基]羰基]苯甲酸 单钾盐
- 中文别名
- 暂无
- 英文名
- Benzoic acid, 2,3,4,5-tetrachloro-6-[[[3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]oxy]phenyl]amino]carbonyl]-, potassium salt (1:1)
- CAS
- 57589-85-2
- CID
- 23673601
- IUPAC 名称
- potassium 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyloxy)phenyl]carbamoyl]benzoate
分子属性
- 分子式
- C22H5Cl4F17KNO6S
- 分子量
- 915.2 g/mol
- 精确质量
- 914.792779 Da
- 单同位素质量
- 912.795729 Da
- XLogP
- 暂无
- 极性表面积
- 121 Ų
- 氢键供体
- 1
- 氢键受体
- 23
- 可旋转键
- 12
- 重原子数
- 52
- 净电荷
- 0
- 结构复杂度
- 1440
结构标识
- InChIKey
- HZRBKZMKUYGJRU-UHFFFAOYSA-M
- SMILES
- C1=CC(=CC(=C1)OS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)[O-].[K+]
- InChI
- InChI=1S/C22H6Cl4F17NO6S.K/c23-9-7(8(14(46)47)10(24)12(26)11(9)25)13(45)44-5-2-1-3-6(4-5)50-51(48,49)22(42,43)20(37,38)18(33,34)16(29,30)15(27,28)17(31,32)19(35,36)21(39,40)41;/h1-4H,(H,44,45)(H,46,47);/q;+1/p-1