2,2'-(1,2-亚乙基)双[5-[4-[双(2-羟乙基)氨基]-6-(苯氨基)-1,3,5-三嗪 -2-基]氨基]苯磺酸二钾盐

Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, potassium salt (1:2) · CAS 71230-67-6

中文名: 2,2'-(1,2-亚乙基)双[5-[4-[双(2-羟乙基)氨基]-6-(苯氨基)-1,3,5-三嗪 -2-基]氨基]苯磺酸二钾盐
中文别名: 暂无
英文名: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, potassium salt (1:2)
CAS: 71230-67-6
CID: 6441796
IUPAC 名称: dipotassium;5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

名称与编号

中文名: 2,2'-(1,2-亚乙基)双[5-[4-[双(2-羟乙基)氨基]-6-(苯氨基)-1,3,5-三嗪 -2-基]氨基]苯磺酸二钾盐
中文别名: 暂无
英文名: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, potassium salt (1:2)
CAS: 71230-67-6
CID: 6441796
IUPAC 名称: dipotassium;5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

分子属性

分子式: C40H42K2N12O10S2
分子量: 993.2 g/mol
精确质量: 992.1862409 Da
单同位素质量: 992.1862409 Da
XLogP: 暂无
极性表面积: 344 Å²
氢键供体: 8
氢键受体: 22
可旋转键: 20
重原子数: 66
净电荷: 0
结构复杂度: 1470

结构标识

InChIKey: CEFUNLRFHCXGOO-YHPRVSEPSA-L
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
InChI: InChI=1S/C40H44N12O10S2.2K/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;;