1-Icosyl-2-[(e)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2h-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3h-indolium perchlorate
1-Icosyl-2-[(e)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2h-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3h-indolium perchlorate · CAS 84109-13-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-Icosyl-2-[(e)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2h-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3h-indolium perchlorate
- CAS
- 84109-13-7
- CID
- 44669773
- IUPAC 名称
- (2E)-1-icosyl-2-[(E)-3-(1-icosyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole perchlorate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-Icosyl-2-[(e)-3-(1-icosyl-3,3-dimethyl-1,3-dihydro-2h-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-3h-indolium perchlorate
- CAS
- 84109-13-7
- CID
- 44669773
- IUPAC 名称
- (2E)-1-icosyl-2-[(E)-3-(1-icosyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole perchlorate
分子属性
- 分子式
- C63H105ClN2O4
- 分子量
- 990 g/mol
- 精确质量
- 988.7762875 Da
- 单同位素质量
- 988.7762875 Da
- XLogP
- 暂无
- 极性表面积
- 80.5 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 40
- 重原子数
- 70
- 净电荷
- 0
- 结构复杂度
- 1270
结构标识
- InChIKey
- QXVGBDIDOLWBHL-UHFFFAOYSA-M
- SMILES
- CCCCCCCCCCCCCCCCCCCCN\1C2=CC=CC=C2C(/C1=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O
- InChI
- InChI=1S/C63H105N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-54-64-58-50-43-41-48-56(58)62(3,4)60(64)52-47-53-61-63(5,6)57-49-42-44-51-59(57)65(61)55-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h41-44,47-53H,7-40,45-46,54-55H2,1-6H3;(H,2,3,4,5)/q+1;/p-1