potassium (2Z)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
potassium (2Z)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate · CAS 449175-58-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- potassium (2Z)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
- CAS
- 449175-58-0
- CID
- 12037275
- IUPAC 名称
- potassium (2Z)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- potassium (2Z)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
- CAS
- 449175-58-0
- CID
- 12037275
- IUPAC 名称
- potassium (2Z)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
分子属性
- 分子式
- C33H39KN2O8S2
- 分子量
- 694.9 g/mol
- 精确质量
- 694.17849004 Da
- 单同位素质量
- 694.17849004 Da
- XLogP
- 暂无
- 极性表面积
- 175 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 10
- 重原子数
- 46
- 净电荷
- 0
- 结构复杂度
- 1420
结构标识
- InChIKey
- TXHLSXTWJSEINP-UHFFFAOYSA-M
- SMILES
- CCN\1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(/C1=C/C=C/C=C/C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)[O-])CCCCCC(=O)O)(C)C.[K+]
- InChI
- InChI=1S/C33H40N2O8S2.K/c1-6-34-27-18-16-23(44(38,39)40)21-25(27)32(2,3)29(34)13-9-7-10-14-30-33(4,5)26-22-24(45(41,42)43)17-19-28(26)35(30)20-12-8-11-15-31(36)37;/h7,9-10,13-14,16-19,21-22H,6,8,11-12,15,20H2,1-5H3,(H2-,36,37,38,39,40,41,42,43);/q;+1/p-1