2,4,6-triphenyl-1λ4-pyran-1-ylium trifluoromethanesulfonate

• ChemBase编号: 102004
• 分子式: C24H17F3O4S
• 平均质量: 458.4495896
• 单一同位素质量: 458.07996468
• SMILES: S(=O)(=O)(C(F)(F)F)[O-].[o+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1cc([o+]c(c1)c1ccccc1)c1ccccc1.[O-]S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C23H17O.CHF3O3S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;2-1(3,4)8(5,6)7/h1-17H;(H,5,6,7)/q+1;/p-1
• InChIKey: YLZGGQOWTSBLMX-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 2,4,6-triphenyl-1λ^4-pyran-1-ylium trifluoromethanesulfonate
• IUPAC传统名: 2,4,6-triphenyl-1λ^4-pyran-1-ylium triflate
• 别名: 2,4,6-triphenylpyranium trifluoromethanesulfonate

登记号

• CAS号: 70962-62-8
• MDL号: MFCD00051894
• PubChem SID: 162088124
• PubChem CID: 2778031

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.7099
• LogD (pH = 7.4): 6.7099
• Log P: 6.7099
• 摩尔折射率: 116.9394 cm^3
• 极化性: 42.19033 Å^3
• 极化表面积: 13.14 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: TECH