7,7'-[2,2'-二磺基[1,1'-联苯基]-4,4'-二基]双[亚氨基(6-氯-1,3,5-三嗪-4,2-二基)亚氨基 [2-[(氨基羰基)氨基]-4,1-亚苯基]偶氮]双-1,3,6-萘三磺酸八钠盐

1,3,6-Naphthalenetrisulfonic acid, 7,7'-[(2,2'-disulfo[1,1'-biphenyl]-4,4'-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]-2,1-diazenediyl]]bis-, sodium salt (1:8) · CAS 68133-40-4

中文名: 7,7'-[2,2'-二磺基[1,1'-联苯基]-4,4'-二基]双[亚氨基(6-氯-1,3,5-三嗪-4,2-二基)亚氨基 [2-[(氨基羰基)氨基]-4,1-亚苯基]偶氮]双-1,3,6-萘三磺酸八钠盐
中文别名: 暂无
英文名: 1,3,6-Naphthalenetrisulfonic acid, 7,7'-[(2,2'-disulfo[1,1'-biphenyl]-4,4'-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]-2,1-diazenediyl]]bis-, sodium salt (1:8)
CAS: 68133-40-4
CID: 16131144
IUPAC 名称: octasodium;7-[[2-(carbamoylamino)-4-[[4-[4-[4-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfonatonaphthalen-2-yl)diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]-3-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate

名称与编号

中文名: 7,7'-[2,2'-二磺基[1,1'-联苯基]-4,4'-二基]双[亚氨基(6-氯-1,3,5-三嗪-4,2-二基)亚氨基 [2-[(氨基羰基)氨基]-4,1-亚苯基]偶氮]双-1,3,6-萘三磺酸八钠盐
中文别名: 暂无
英文名: 1,3,6-Naphthalenetrisulfonic acid, 7,7'-[(2,2'-disulfo[1,1'-biphenyl]-4,4'-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]-2,1-diazenediyl]]bis-, sodium salt (1:8)
CAS: 68133-40-4
CID: 16131144
IUPAC 名称: octasodium;7-[[2-(carbamoylamino)-4-[[4-[4-[4-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfonatonaphthalen-2-yl)diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]-3-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate

分子属性

分子式: C52H30Cl2N18Na8O26S8
分子量: 1834.3 g/mol
精确质量: 1831.7902922 Da
单同位素质量: 1831.7902922 Da
XLogP: 暂无
极性表面积: 810 Å²
氢键供体: 8
氢键受体: 40
可旋转键: 15
重原子数: 114
净电荷: 0
结构复杂度: 3800

结构标识

InChIKey: WAPHSRMHUOCGQE-UHFFFAOYSA-F
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)Cl)S(=O)(=O)[O-])C6=C(C=C(C=C6)NC7=NC(=NC(=N7)NC8=CC(=C(C=C8)N=NC9=CC1=C(C=C(C=C1C=C9S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C52H38Cl2N18O26S8.8Na/c53-45-63-49(57-23-3-7-33(35(13-23)61-47(55)73)69-71-37-19-31-21(11-43(37)105(93,94)95)9-27(99(75,76)77)17-41(31)103(87,88)89)67-51(65-45)59-25-1-5-29(39(15-25)101(81,82)83)30-6-2-26(16-40(30)102(84,85)86)60-52-66-46(54)64-50(68-52)58-24-4-8-34(36(14-24)62-48(56)74)70-72-38-20-32-22(12-44(38)106(96,97)98)10-28(100(78,79)80)18-42(32)104(90,91)92;;;;;;;;/h1-20H,(H3,55,61,73)(H3,56,62,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,57,59,63,65,67)(H2,58,60,64,66,68);;;;;;;;/q;8*+1/p-8