4-(苯甲酰氨基)-6-[[5-[[[4-氟 -6-[(2-磺苯基)氨基]-1,3,5-三嗪-2- 基]氨基]甲基]-1-硫-2-萘基]偶氮]-5-羟基-1,7-萘二磺酸钠

1,7-naphthalenedisulfonic acid, 4-(benzoylamino)-6-((5-(((4-fluoro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)methyl)-1-sulfo-2-naphthalenyl)azo)-5-hydroxy-, sodium salt · CAS 83763-64-8

中文名: 4-(苯甲酰氨基)-6-[[5-[[[4-氟 -6-[(2-磺苯基)氨基]-1,3,5-三嗪-2- 基]氨基]甲基]-1-硫-2-萘基]偶氮]-5-羟基-1,7-萘二磺酸钠
中文别名: 暂无
英文名: 1,7-naphthalenedisulfonic acid, 4-(benzoylamino)-6-((5-(((4-fluoro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)methyl)-1-sulfo-2-naphthalenyl)azo)-5-hydroxy-, sodium salt
CAS: 83763-64-8
CID: 136075825
IUPAC 名称: tetrasodium;4-benzamido-6-[[5-[[[4-fluoro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]methyl]-1-sulfonatonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate

名称与编号

中文名: 4-(苯甲酰氨基)-6-[[5-[[[4-氟 -6-[(2-磺苯基)氨基]-1,3,5-三嗪-2- 基]氨基]甲基]-1-硫-2-萘基]偶氮]-5-羟基-1,7-萘二磺酸钠
中文别名: 暂无
英文名: 1,7-naphthalenedisulfonic acid, 4-(benzoylamino)-6-((5-(((4-fluoro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)methyl)-1-sulfo-2-naphthalenyl)azo)-5-hydroxy-, sodium salt
CAS: 83763-64-8
CID: 136075825
IUPAC 名称: tetrasodium;4-benzamido-6-[[5-[[[4-fluoro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]methyl]-1-sulfonatonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate

分子属性

分子式: C37H23FN8Na4O14S4
分子量: 1042.8 g/mol
精确质量: 1041.9791374 Da
单同位素质量: 1041.9791374 Da
XLogP: 暂无
极性表面积: 399 Å²
氢键供体: 4
氢键受体: 22
可旋转键: 9
重原子数: 68
净电荷: 0
结构复杂度: 2060

结构标识

InChIKey: CFNIJWCWEMEKOE-UHFFFAOYSA-J
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C5=CC=CC(=C5C=C4)CNC6=NC(=NC(=N6)F)NC7=CC=CC=C7S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C37H27FN8O14S4.4Na/c38-35-42-36(44-37(43-35)41-24-11-4-5-12-28(24)62(52,53)54)39-18-20-9-6-10-22-21(20)13-14-26(33(22)64(58,59)60)45-46-31-29(63(55,56)57)17-23-27(61(49,50)51)16-15-25(30(23)32(31)47)40-34(48)19-7-2-1-3-8-19;;;;/h1-17,47H,18H2,(H,40,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H2,39,41,42,43,44);;;;/q;4*+1/p-4