2-[(E,3E)-3-(3,3-dimethyl-1-tetradecylindol-2-ylidene)prop-1-enyl]-1-docosyl-3,3-dimethylindol-1-ium iodide
2-[(E,3E)-3-(3,3-dimethyl-1-tetradecylindol-2-ylidene)prop-1-enyl]-1-docosyl-3,3-dimethylindol-1-ium iodide · CAS 154214-55-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[(E,3E)-3-(3,3-dimethyl-1-tetradecylindol-2-ylidene)prop-1-enyl]-1-docosyl-3,3-dimethylindol-1-ium iodide
- CAS
- 154214-55-8
- CID
- 162642097
- IUPAC 名称
- 2-[(E,3E)-3-(3,3-dimethyl-1-tetradecylindol-2-ylidene)prop-1-enyl]-1-docosyl-3,3-dimethylindol-1-ium iodide
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[(E,3E)-3-(3,3-dimethyl-1-tetradecylindol-2-ylidene)prop-1-enyl]-1-docosyl-3,3-dimethylindol-1-ium iodide
- CAS
- 154214-55-8
- CID
- 162642097
- IUPAC 名称
- 2-[(E,3E)-3-(3,3-dimethyl-1-tetradecylindol-2-ylidene)prop-1-enyl]-1-docosyl-3,3-dimethylindol-1-ium iodide
分子属性
- 分子式
- C59H97IN2
- 分子量
- 961.3 g/mol
- 精确质量
- 960.66965 Da
- 单同位素质量
- 960.66965 Da
- XLogP
- 暂无
- 极性表面积
- 6.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 36
- 重原子数
- 62
- 净电荷
- 0
- 结构复杂度
- 1200
结构标识
- InChIKey
- XOOOYQALQHJRCY-UHFFFAOYSA-M
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)/C=C/C=C/3\C(C4=CC=CC=C4N3CCCCCCCCCCCCCC)(C)C.[I-]
- InChI
- InChI=1S/C59H97N2.HI/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-42-51-61-55-47-40-38-45-53(55)59(5,6)57(61)49-43-48-56-58(3,4)52-44-37-39-46-54(52)60(56)50-41-35-33-31-29-20-18-16-14-12-10-8-2;/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3;1H/q+1;/p-1