1,1'-[1,2-亚乙基[(3-磺基-4,1-亚苯基)亚氨基[6-[[3-(乙酰氨基)-4-[(4,8-二磺基-2-萘基)偶氮]苯基]氨基]-1,3,5-三嗪-4,2-二基]]]二 [3-羧基吡啶翁]二氢氧化六钠盐

Pyridinium, 1,1'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((3-(acetylamino)-4-(2-(4,8-disulfo-2-naphthalenyl)diazenyl)phenyl)amino)-1,3,5-triazine-4,2-diyl)))bis(3-carboxy-, hydroxide, sodium salt (1:2:6) · CAS 86422-61-9

中文名: 1,1'-[1,2-亚乙基[(3-磺基-4,1-亚苯基)亚氨基[6-[[3-(乙酰氨基)-4-[(4,8-二磺基-2-萘基)偶氮]苯基]氨基]-1,3,5-三嗪-4,2-二基]]]二 [3-羧基吡啶翁]二氢氧化六钠盐
中文别名: 暂无
英文名: Pyridinium, 1,1'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((3-(acetylamino)-4-(2-(4,8-disulfo-2-naphthalenyl)diazenyl)phenyl)amino)-1,3,5-triazine-4,2-diyl)))bis(3-carboxy-, hydroxide, sodium salt (1:2:6)
CAS: 86422-61-9
CID: 56842292
IUPAC 名称: hexasodium;3-[[2-acetamido-4-[[4-[4-[(E)-2-[4-[[4-[3-acetamido-4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]anilino]-6-(3-carboxypyridin-1-ium-1-yl)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-(3-carboxypyridin-1-ium-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,5-disulfonate;dihydroxide

名称与编号

中文名: 1,1'-[1,2-亚乙基[(3-磺基-4,1-亚苯基)亚氨基[6-[[3-(乙酰氨基)-4-[(4,8-二磺基-2-萘基)偶氮]苯基]氨基]-1,3,5-三嗪-4,2-二基]]]二 [3-羧基吡啶翁]二氢氧化六钠盐
中文别名: 暂无
英文名: Pyridinium, 1,1'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((3-(acetylamino)-4-(2-(4,8-disulfo-2-naphthalenyl)diazenyl)phenyl)amino)-1,3,5-triazine-4,2-diyl)))bis(3-carboxy-, hydroxide, sodium salt (1:2:6)
CAS: 86422-61-9
CID: 56842292
IUPAC 名称: hexasodium;3-[[2-acetamido-4-[[4-[4-[(E)-2-[4-[[4-[3-acetamido-4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]anilino]-6-(3-carboxypyridin-1-ium-1-yl)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-(3-carboxypyridin-1-ium-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,5-disulfonate;dihydroxide

分子属性

分子式: C68H48N18Na6O26S6
分子量: 1863.6 g/mol
精确质量: 1862.0697564 Da
单同位素质量: 1862.0697564 Da
XLogP: 暂无
极性表面积: 711 Å²
氢键供体: 10
氢键受体: 40
可旋转键: 20
重原子数: 124
净电荷: 0
结构复杂度: 3920

结构标识

InChIKey: UYNFNYSUJIKAIA-UHFFFAOYSA-H
SMILES: CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)[N+]3=CC=CC(=C3)C(=O)O)NC4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC(=C(C=C7)N=NC8=CC9=C(C=CC=C9S(=O)(=O)[O-])C(=C8)S(=O)(=O)[O-])NC(=O)C)[N+]1=CC=CC(=C1)C(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[OH-].[OH-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C68H50N18O24S6.6Na.2H2O/c1-35(87)69-53-27-41(19-21-51(53)83-81-45-25-49-47(59(31-45)115(105,106)107)9-3-11-55(49)111(93,94)95)71-63-75-65(79-67(77-63)85-23-5-7-39(33-85)61(89)90)73-43-17-15-37(57(29-43)113(99,100)101)13-14-38-16-18-44(30-58(38)114(102,103)104)74-66-76-64(78-68(80-66)86-24-6-8-40(34-86)62(91)92)72-42-20-22-52(54(28-42)70-36(2)88)84-82-46-26-50-48(60(32-46)116(108,109)110)10-4-12-56(50)112(96,97)98;;;;;;;;/h3-34H,1-2H3,(H12-2,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110);;;;;;;2*1H2/q;6*+1;;/p-6