3-[[4-[(4-氯-6-甲氧基-1,3,5-三嗪 -2-基)氨基]-2-磺苯基]氨基]-7-[乙基[(3-磺苯基)甲基]氨基]-5-(4-磺苯基)-吩嗪翁内盐二钠盐

Dihydrogen 3-((4-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)amino)-7-(ethyl((3-sulphonatophenyl)methyl)amino)-5-(4-sulphonatophenyl)phenazinium, disodium salt · CAS 83929-56-0

中文名: 3-[[4-[(4-氯-6-甲氧基-1,3,5-三嗪 -2-基)氨基]-2-磺苯基]氨基]-7-[乙基[(3-磺苯基)甲基]氨基]-5-(4-磺苯基)-吩嗪翁内盐二钠盐
中文别名: 暂无
英文名: Dihydrogen 3-((4-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)amino)-7-(ethyl((3-sulphonatophenyl)methyl)amino)-5-(4-sulphonatophenyl)phenazinium, disodium salt
CAS: 83929-56-0
CID: 44152581
IUPAC 名称: disodium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-sulfonatophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate

名称与编号

中文名: 3-[[4-[(4-氯-6-甲氧基-1,3,5-三嗪 -2-基)氨基]-2-磺苯基]氨基]-7-[乙基[(3-磺苯基)甲基]氨基]-5-(4-磺苯基)-吩嗪翁内盐二钠盐
中文别名: 暂无
英文名: Dihydrogen 3-((4-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)amino)-7-(ethyl((3-sulphonatophenyl)methyl)amino)-5-(4-sulphonatophenyl)phenazinium, disodium salt
CAS: 83929-56-0
CID: 44152581
IUPAC 名称: disodium;5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-sulfonatophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate

分子属性

分子式: C37H29ClN8Na2O10S3
分子量: 923.3 g/mol
精确质量: 922.0652689 Da
单同位素质量: 922.0652689 Da
XLogP: 暂无
极性表面积: 289 Å²
氢键供体: 2
氢键受体: 17
可旋转键: 10
重原子数: 61
净电荷: 0
结构复杂度: 1690

结构标识

InChIKey: WNMYIIHNZWLPSV-UHFFFAOYSA-L
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC3=[N+](C4=C(C=CC(=C4)NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)Cl)OC)S(=O)(=O)[O-])N=C3C=C2)C7=CC=C(C=C7)S(=O)(=O)[O-].[Na+].[Na+]
InChI: InChI=1S/C37H31ClN8O10S3.2Na/c1-3-45(21-22-5-4-6-28(17-22)58(50,51)52)26-11-16-30-33(20-26)46(25-9-12-27(13-10-25)57(47,48)49)32-18-23(7-14-29(32)41-30)39-31-15-8-24(19-34(31)59(53,54)55)40-36-42-35(38)43-37(44-36)56-2;;/h4-20H,3,21H2,1-2H3,(H4,40,41,42,43,44,47,48,49,50,51,52,53,54,55);;/q;2*+1/p-2