C.I.活性黄86
Disodium 4-((5-(aminocarbonyl)-1-ethyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl)azo)-6-((4,6-dichloro-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonate · CAS 73398-40-0
- 中文名
- C.I.活性黄86
- 中文别名
- 暂无
- 英文名
- Disodium 4-((5-(aminocarbonyl)-1-ethyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl)azo)-6-((4,6-dichloro-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonate
- CAS
- 73398-40-0
- CID
- 11970609
- IUPAC 名称
- disodium;4-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl)diazenyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonate
名称与编号
- 中文名
- C.I.活性黄86
- 中文别名
- 暂无
- 英文名
- Disodium 4-((5-(aminocarbonyl)-1-ethyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl)azo)-6-((4,6-dichloro-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonate
- CAS
- 73398-40-0
- CID
- 11970609
- IUPAC 名称
- disodium;4-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl)diazenyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonate
分子属性
- 分子式
- C18H18Cl2N8Na2O9S2
- 分子量
- 671.4 g/mol
- 精确质量
- 669.9810605 Da
- 单同位素质量
- 669.9810605 Da
- XLogP
- 暂无
- 极性表面积
- 290 Ų
- 氢键供体
- 3
- 氢键受体
- 15
- 可旋转键
- 6
- 重原子数
- 41
- 净电荷
- 0
- 结构复杂度
- 1130
结构标识
- InChIKey
- BLUQNUCXKILVND-UHFFFAOYSA-L
- SMILES
- CCN1C(C(C(C(C1=O)C(=O)N)C)N=NC2=C(C=C(C(=C2)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
- InChI
- InChI=1S/C18H20Cl2N8O9S2.2Na/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37;;/h4-6,11-12,15,31H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;/q;2*+1/p-2