(4-methoxyphenyl)diphenyl-$l^{4}-sulfanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

• ChemBase编号: 97079
• 分子式: C23H17F9O4S2
• 平均质量: 592.4943088
• 单一同位素质量: 592.042455
• SMILES: S(c1ccc(cc1)OC)(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: COc1ccc(cc1)S(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C23H17F9O4S2/c1-35-16-12-14-19(15-13-16)37(17-8-4-2-5-9-17,18-10-6-3-7-11-18)36-38(33,34)23(31,32)21(26,27)20(24,25)22(28,29)30/h2-15H,1H3
• InChIKey: OPSZACNLRHZKST-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methoxyphenyl)diphenyl-$l^{4}-sulfanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• IUPAC传统名: (4-methoxyphenyl)diphenyl-$l^{4}-sulfanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• 别名: Diphenyl(4-methoxyphenyl)sulphonium nonaflate

登记号

• MDL号: MFCD04038888
• PubChem SID: 162083703
• PubChem CID: 2782328

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 8.6146
• LogD (pH = 7.4): 8.6146
• Log P: 8.6146
• 摩尔折射率: 119.7344 cm^3
• 极化性: 46.31185 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Corrosive

详细说明

Apollo Scientific Ltd - PC3899

Photoinitiator/Photoacid Generator