[8-羟基-7-[[2-羟基-5-羟基-7-磺基 -6-[[4-[(2,5,6-三氯-4-嘧啶基)氨 基]苯基]偶氮]-1-萘基]偶氮]-1,3,5- 萘三磺酸根合(6-)]铜酸(4-)四钠
Tetrasodium [8-(hydroxy-kappaO)-7-{[5-hydroxy-2-(hydroxy-kappaO)-7-sulfo-6-({4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl}diazenyl)naphthalen-1-yl]diazenyl-kappaN~1~}naphthalene-1,3,5-trisulfonato(6-)]cuprate(4-) · CAS 141048-13-7
- 中文名
- [8-羟基-7-[[2-羟基-5-羟基-7-磺基 -6-[[4-[(2,5,6-三氯-4-嘧啶基)氨 基]苯基]偶氮]-1-萘基]偶氮]-1,3,5- 萘三磺酸根合(6-)]铜酸(4-)四钠
- 中文别名
- 暂无
- 英文名
- Tetrasodium [8-(hydroxy-kappaO)-7-{[5-hydroxy-2-(hydroxy-kappaO)-7-sulfo-6-({4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl}diazenyl)naphthalen-1-yl]diazenyl-kappaN~1~}naphthalene-1,3,5-trisulfonato(6-)]cuprate(4-)
- CAS
- 141048-13-7
- CID
- 165359877
- IUPAC 名称
- copper;tetrasodium;7-[[5-hydroxy-2-oxido-7-sulfonato-6-[[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-8-oxidonaphthalene-1,3,5-trisulfonate
名称与编号
- 中文名
- [8-羟基-7-[[2-羟基-5-羟基-7-磺基 -6-[[4-[(2,5,6-三氯-4-嘧啶基)氨 基]苯基]偶氮]-1-萘基]偶氮]-1,3,5- 萘三磺酸根合(6-)]铜酸(4-)四钠
- 中文别名
- 暂无
- 英文名
- Tetrasodium [8-(hydroxy-kappaO)-7-{[5-hydroxy-2-(hydroxy-kappaO)-7-sulfo-6-({4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl}diazenyl)naphthalen-1-yl]diazenyl-kappaN~1~}naphthalene-1,3,5-trisulfonato(6-)]cuprate(4-)
- CAS
- 141048-13-7
- CID
- 165359877
- IUPAC 名称
- copper;tetrasodium;7-[[5-hydroxy-2-oxido-7-sulfonato-6-[[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-8-oxidonaphthalene-1,3,5-trisulfonate
分子属性
- 分子式
- C30H12Cl3CuN7Na4O15S4
- 分子量
- 1100.6 g/mol
- 精确质量
- 1097.722655 Da
- 单同位素质量
- 1097.722655 Da
- XLogP
- 暂无
- 极性表面积
- 416 Ų
- 氢键供体
- 2
- 氢键受体
- 22
- 可旋转键
- 4
- 重原子数
- 64
- 净电荷
- 0
- 结构复杂度
- 1970
结构标识
- InChIKey
- RSAVQLZHRRJNJJ-UHFFFAOYSA-H
- SMILES
- C1=CC(=CC=C1NC2=C(C(=NC(=N2)Cl)Cl)Cl)N=NC3=C(C=C4C(=C3O)C=CC(=C4N=NC5=CC(=C6C=C(C=C(C6=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]
- InChI
- InChI=1S/C30H18Cl3N7O15S4.Cu.4Na/c31-23-28(32)35-30(33)36-29(23)34-11-1-3-12(4-2-11)37-40-25-21(59(53,54)55)9-15-14(26(25)42)5-6-18(41)24(15)39-38-17-10-19(57(47,48)49)16-7-13(56(44,45)46)8-20(58(50,51)52)22(16)27(17)43;;;;;/h1-10,41-43H,(H,34,35,36)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;;/q;+2;4*+1/p-6