Sodium 3-(2-(2-(2-chloro-3-(2-(3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)propane-1-sulfonate
Sodium 3-(2-(2-(2-chloro-3-(2-(3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)propane-1-sulfonate · CAS 115970-63-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Sodium 3-(2-(2-(2-chloro-3-(2-(3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)propane-1-sulfonate
- CAS
- 115970-63-3
- CID
- 14177623
- IUPAC 名称
- sodium 3-[(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-[3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Sodium 3-(2-(2-(2-chloro-3-(2-(3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)propane-1-sulfonate
- CAS
- 115970-63-3
- CID
- 14177623
- IUPAC 名称
- sodium 3-[(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-[3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate
分子属性
- 分子式
- C36H42ClN2NaO6S2
- 分子量
- 721.3 g/mol
- 精确质量
- 720.2070514 Da
- 单同位素质量
- 720.2070514 Da
- XLogP
- 暂无
- 极性表面积
- 137 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 9
- 重原子数
- 48
- 净电荷
- 0
- 结构复杂度
- 1420
结构标识
- InChIKey
- DIKZRBGLKOXIJQ-UHFFFAOYSA-M
- SMILES
- CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C\4/C(C5=CC=CC=C5N4CCCS(=O)(=O)[O-])(C)C)/CCC3)Cl)CCCS(=O)(=O)[O-])C.[Na+]
- InChI
- InChI=1S/C36H43ClN2O6S2.Na/c1-35(2)28-14-5-7-16-30(28)38(22-10-24-46(40,41)42)32(35)20-18-26-12-9-13-27(34(26)37)19-21-33-36(3,4)29-15-6-8-17-31(29)39(33)23-11-25-47(43,44)45;/h5-8,14-21H,9-13,22-25H2,1-4H3,(H-,40,41,42,43,44,45);/q;+1/p-1