4-[[4,5-二氢-3-甲基-5-氧代-1-(4- 磺苯基)-1H-吡唑-4-基]偶 氮]-4'-[(2,5,6-三氯-4-嘧啶基)氨 基]-[1,1'-联苯基]-3-磺酸二钠盐
[1,1'-Biphenyl]-3-sulfonic acid, 4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-4'-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:2) · CAS 72139-23-2
- 中文名
- 4-[[4,5-二氢-3-甲基-5-氧代-1-(4- 磺苯基)-1H-吡唑-4-基]偶 氮]-4'-[(2,5,6-三氯-4-嘧啶基)氨 基]-[1,1'-联苯基]-3-磺酸二钠盐
- 中文别名
- 暂无
- 英文名
- [1,1'-Biphenyl]-3-sulfonic acid, 4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-4'-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:2)
- CAS
- 72139-23-2
- CID
- 166230
- IUPAC 名称
- disodium;2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]-5-[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]benzenesulfonate
名称与编号
- 中文名
- 4-[[4,5-二氢-3-甲基-5-氧代-1-(4- 磺苯基)-1H-吡唑-4-基]偶 氮]-4'-[(2,5,6-三氯-4-嘧啶基)氨 基]-[1,1'-联苯基]-3-磺酸二钠盐
- 中文别名
- 暂无
- 英文名
- [1,1'-Biphenyl]-3-sulfonic acid, 4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-4'-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:2)
- CAS
- 72139-23-2
- CID
- 166230
- IUPAC 名称
- disodium;2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]-5-[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]benzenesulfonate
分子属性
- 分子式
- C26H16Cl3N7Na2O7S2
- 分子量
- 754.9 g/mol
- 精确质量
- 752.94136 Da
- 单同位素质量
- 752.94136 Da
- XLogP
- 暂无
- 极性表面积
- 226 Ų
- 氢键供体
- 1
- 氢键受体
- 13
- 可旋转键
- 6
- 重原子数
- 47
- 净电荷
- 0
- 结构复杂度
- 1320
结构标识
- InChIKey
- WSUXMBNHGJJTFJ-UHFFFAOYSA-L
- SMILES
- CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)C3=CC=C(C=C3)NC4=C(C(=NC(=N4)Cl)Cl)Cl)S(=O)(=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]
- InChI
- InChI=1S/C26H18Cl3N7O7S2.2Na/c1-13-22(25(37)36(35-13)17-7-9-18(10-8-17)44(38,39)40)34-33-19-11-4-15(12-20(19)45(41,42)43)14-2-5-16(6-3-14)30-24-21(27)23(28)31-26(29)32-24;;/h2-12,22H,1H3,(H,30,31,32)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2