4,4'-[1,2-乙二基二[(3-磺基-4,1-亚 苯基)亚氨基(6-氯-1,3,5-三嗪-4,2- 二基)亚氨基(6-磺基-3,1-亚苯基)偶 氮]]二[1-(2-氯苯基)-4,5-二氢-5-氧 代]-1H-吡唑-3-羧酸钠盐
1h-pyrazole-3-carboxylic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo))bis(1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt · CAS 85959-10-0
- 中文名
- 4,4'-[1,2-乙二基二[(3-磺基-4,1-亚 苯基)亚氨基(6-氯-1,3,5-三嗪-4,2- 二基)亚氨基(6-磺基-3,1-亚苯基)偶 氮]]二[1-(2-氯苯基)-4,5-二氢-5-氧 代]-1H-吡唑-3-羧酸钠盐
- 中文别名
- 暂无
- 英文名
- 1h-pyrazole-3-carboxylic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo))bis(1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt
- CAS
- 85959-10-0
- CID
- 56843250
- IUPAC 名称
- tetrasodium;5-[[4-[3-[[3-carboxy-1-(2-chlorophenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[3-[[3-carboxy-1-(2-chlorophenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
名称与编号
- 中文名
- 4,4'-[1,2-乙二基二[(3-磺基-4,1-亚 苯基)亚氨基(6-氯-1,3,5-三嗪-4,2- 二基)亚氨基(6-磺基-3,1-亚苯基)偶 氮]]二[1-(2-氯苯基)-4,5-二氢-5-氧 代]-1H-吡唑-3-羧酸钠盐
- 中文别名
- 暂无
- 英文名
- 1h-pyrazole-3-carboxylic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo))bis(1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt
- CAS
- 85959-10-0
- CID
- 56843250
- IUPAC 名称
- tetrasodium;5-[[4-[3-[[3-carboxy-1-(2-chlorophenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[3-[[3-carboxy-1-(2-chlorophenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
分子属性
- 分子式
- C52H30Cl4N18Na4O18S4
- 分子量
- 1556.9 g/mol
- 精确质量
- 1555.918369 Da
- 单同位素质量
- 1553.921319 Da
- XLogP
- 暂无
- 极性表面积
- 577 Ų
- 氢键供体
- 6
- 氢键受体
- 34
- 可旋转键
- 18
- 重原子数
- 100
- 净电荷
- 0
- 结构复杂度
- 3210
结构标识
- InChIKey
- FSAYAIVKILCBPI-RVAULOGLSA-J
- SMILES
- C1=CC=C(C(=C1)N2C(=O)C(C(=N2)C(=O)O)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)Cl)NC5=CC(=C(C=C5)/C=C/C6=C(C=C(C=C6)NC7=NC(=NC(=N7)NC8=CC(=C(C=C8)S(=O)(=O)[O-])N=NC9C(=NN(C9=O)C1=CC=CC=C1Cl)C(=O)O)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C52H34Cl4N18O18S4.4Na/c53-29-5-1-3-7-33(29)73-43(75)39(41(71-73)45(77)78)69-67-31-19-25(15-17-35(31)93(81,82)83)57-49-61-47(55)63-51(65-49)59-27-13-11-23(37(21-27)95(87,88)89)9-10-24-12-14-28(22-38(24)96(90,91)92)60-52-64-48(56)62-50(66-52)58-26-16-18-36(94(84,85)86)32(20-26)68-70-40-42(46(79)80)72-74(44(40)76)34-8-4-2-6-30(34)54;;;;/h1-22,39-40H,(H,77,78)(H,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H2,57,59,61,63,65)(H2,58,60,62,64,66);;;;/q;4*+1/p-4/b10-9+,69-67?,70-68?;;;;