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

• ChemBase编号: 98549
• 分子式: C23H17F9O3S2
• 平均质量: 576.4949088
• 单一同位素质量: 576.04754038
• SMILES: S(c1ccc(cc1)C)(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: Cc1ccc(cc1)S(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C23H17F9O3S2/c1-16-12-14-19(15-13-16)36(17-8-4-2-5-9-17,18-10-6-3-7-11-18)35-37(33,34)23(31,32)21(26,27)20(24,25)22(28,29)30/h2-15H,1H3
• InChIKey: YATIYGBRFSRDLH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD04038886
• PubChem SID: 162084957
• PubChem CID: 2782340

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 9.3345
• LogD (pH = 7.4): 9.3345
• Log P: 9.3345
• 摩尔折射率: 118.3124 cm^3
• 极化性: 45.46822 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 9
• 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 - PC5761

Photoinitiator/Photoacid Generator