3,3'-[1,4-哌嗪二基二[(6-氯-1,3,5- 三嗪-4,2-二基)亚氨基[2-(乙酰氨基)-4,1-亚苯基]]二(1,5-萘二磺酸) 四钠盐

Tetrasodium 3,3'-[piperazine-1,4-diyl-bis[(6-chloro-1,3,5-triazine-2,4-diyl)amino(2-acetylamino-4,1-phenylene)azo]]bis(naphthalene-1,5-disulfonate) · CAS 81898-60-4

中文名: 3,3'-[1,4-哌嗪二基二[(6-氯-1,3,5- 三嗪-4,2-二基)亚氨基[2-(乙酰氨基)-4,1-亚苯基]]二(1,5-萘二磺酸) 四钠盐
中文别名: 暂无
英文名: Tetrasodium 3,3'-[piperazine-1,4-diyl-bis[(6-chloro-1,3,5-triazine-2,4-diyl)amino(2-acetylamino-4,1-phenylene)azo]]bis(naphthalene-1,5-disulfonate)
CAS: 81898-60-4
CID: 44150994
IUPAC 名称: tetrasodium;3-[[2-acetamido-4-[[4-[4-[4-[3-acetamido-4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]piperazin-1-yl]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,5-disulfonate

名称与编号

中文名: 3,3'-[1,4-哌嗪二基二[(6-氯-1,3,5- 三嗪-4,2-二基)亚氨基[2-(乙酰氨基)-4,1-亚苯基]]二(1,5-萘二磺酸) 四钠盐
中文别名: 暂无
英文名: Tetrasodium 3,3'-[piperazine-1,4-diyl-bis[(6-chloro-1,3,5-triazine-2,4-diyl)amino(2-acetylamino-4,1-phenylene)azo]]bis(naphthalene-1,5-disulfonate)
CAS: 81898-60-4
CID: 44150994
IUPAC 名称: tetrasodium;3-[[2-acetamido-4-[[4-[4-[4-[3-acetamido-4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]piperazin-1-yl]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,5-disulfonate

分子属性

分子式: C46H34Cl2N16Na4O14S4
分子量: 1326 g/mol
精确质量: 1324.029107 Da
单同位素质量: 1324.029107 Da
XLogP: 暂无
极性表面积: 478 Å²
氢键供体: 4
氢键受体: 28
可旋转键: 12
重原子数: 86
净电荷: 0
结构复杂度: 2520

结构标识

InChIKey: RPSNSSBOKQJRSO-UHFFFAOYSA-J
SMILES: CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)Cl)N3CCN(CC3)C4=NC(=NC(=N4)NC5=CC(=C(C=C5)N=NC6=CC7=C(C=CC=C7S(=O)(=O)[O-])C(=C6)S(=O)(=O)[O-])NC(=O)C)Cl)N=NC8=CC9=C(C=CC=C9S(=O)(=O)[O-])C(=C8)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C46H38Cl2N16O14S4.4Na/c1-23(65)49-35-19-25(9-11-33(35)61-59-27-17-31-29(39(21-27)81(73,74)75)5-3-7-37(31)79(67,68)69)51-43-53-41(47)55-45(57-43)63-13-15-64(16-14-63)46-56-42(48)54-44(58-46)52-26-10-12-34(36(20-26)50-24(2)66)62-60-28-18-32-30(40(22-28)82(76,77)78)6-4-8-38(32)80(70,71)72;;;;/h3-12,17-22H,13-16H2,1-2H3,(H,49,65)(H,50,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,51,53,55,57)(H,52,54,56,58);;;;/q;4*+1/p-4