[3-Hydroxy-4-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate
[3-Hydroxy-4-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate · CAS 20204-80-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [3-Hydroxy-4-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate
- CAS
- 20204-80-2
- CID
- 4091938
- IUPAC 名称
- [3-hydroxy-4-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [3-Hydroxy-4-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate
- CAS
- 20204-80-2
- CID
- 4091938
- IUPAC 名称
- [3-hydroxy-4-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate
分子属性
- 分子式
- C20H22O9S2
- 分子量
- 470.5 g/mol
- 精确质量
- 470.07052462 Da
- 单同位素质量
- 470.07052462 Da
- XLogP
- 1.9
- 极性表面积
- 142 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 6
- 重原子数
- 31
- 净电荷
- 0
- 结构复杂度
- 816
结构标识
- InChIKey
- NJSSICCENMLTKO-UHFFFAOYSA-N
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)OC2C3COC(O3)C(C2O)OS(=O)(=O)C4=CC=C(C=C4)C
- InChI
- InChI=1S/C20H22O9S2/c1-12-3-7-14(8-4-12)30(22,23)28-18-16-11-26-20(27-16)19(17(18)21)29-31(24,25)15-9-5-13(2)6-10-15/h3-10,16-21H,11H2,1-2H3