2-[4-氟-6-[甲基[2-[2-(硫基)乙基磺酰基]乙基]氨基]-1,3,5-三嗪-2-基]-5羟基-6-[[2-[(2-羟基-5-磺酰基苯基)偶氮]-4,5-二甲氧基苯基]偶氮]-萘-1,7-二磺酸铜合四钠盐
Tetrasodium 2-(4-fluoro-6-(2-(2-sulfonatoethansulfonyl)ethylamino)-1,3,5-triazin-2-ylamino)-5-hydroxy-6-(2-(2-hydroxy-5-sulfonatophenylazo)-4,5-dimethoxyphenylazo)-7-sulfonatonaphthalene-1-sulfonatocuprate(II) · CAS 479541-17-8
- 中文名
- 2-[4-氟-6-[甲基[2-[2-(硫基)乙基磺酰基]乙基]氨基]-1,3,5-三嗪-2-基]-5羟基-6-[[2-[(2-羟基-5-磺酰基苯基)偶氮]-4,5-二甲氧基苯基]偶氮]-萘-1,7-二磺酸铜合四钠盐
- 中文别名
- 暂无
- 英文名
- Tetrasodium 2-(4-fluoro-6-(2-(2-sulfonatoethansulfonyl)ethylamino)-1,3,5-triazin-2-ylamino)-5-hydroxy-6-(2-(2-hydroxy-5-sulfonatophenylazo)-4,5-dimethoxyphenylazo)-7-sulfonatonaphthalene-1-sulfonatocuprate(II)
- CAS
- 479541-17-8
- CID
- 171041352
- IUPAC 名称
- copper;tetrasodium;6-[[4,5-dimethoxy-2-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-[[4-fluoro-6-[methyl-[2-(2-sulfonatooxyethylsulfonyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-oxidonaphthalene-1,7-disulfonate
名称与编号
- 中文名
- 2-[4-氟-6-[甲基[2-[2-(硫基)乙基磺酰基]乙基]氨基]-1,3,5-三嗪-2-基]-5羟基-6-[[2-[(2-羟基-5-磺酰基苯基)偶氮]-4,5-二甲氧基苯基]偶氮]-萘-1,7-二磺酸铜合四钠盐
- 中文别名
- 暂无
- 英文名
- Tetrasodium 2-(4-fluoro-6-(2-(2-sulfonatoethansulfonyl)ethylamino)-1,3,5-triazin-2-ylamino)-5-hydroxy-6-(2-(2-hydroxy-5-sulfonatophenylazo)-4,5-dimethoxyphenylazo)-7-sulfonatonaphthalene-1-sulfonatocuprate(II)
- CAS
- 479541-17-8
- CID
- 171041352
- IUPAC 名称
- copper;tetrasodium;6-[[4,5-dimethoxy-2-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-[[4-fluoro-6-[methyl-[2-(2-sulfonatooxyethylsulfonyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-oxidonaphthalene-1,7-disulfonate
分子属性
- 分子式
- C32H26CuFN9Na4O19S5
- 分子量
- 1175.4 g/mol
- 精确质量
- 1173.881928 Da
- 单同位素质量
- 1173.881928 Da
- XLogP
- 暂无
- 极性表面积
- 482 Ų
- 氢键供体
- 1
- 氢键受体
- 29
- 可旋转键
- 15
- 重原子数
- 71
- 净电荷
- 0
- 结构复杂度
- 2210
结构标识
- InChIKey
- GTHWOGRBEVMOCS-UHFFFAOYSA-H
- SMILES
- CN(CCS(=O)(=O)CCOS(=O)(=O)[O-])C1=NC(=NC(=N1)NC2=C(C3=CC(=C(C(=C3C=C2)[O-])N=NC4=CC(=C(C=C4N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])OC)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])F.[Na+].[Na+].[Na+].[Na+].[Cu+2]
- InChI
- InChI=1S/C32H32FN9O19S5.Cu.4Na/c1-42(8-10-62(45,46)11-9-61-66(56,57)58)32-36-30(33)35-31(37-32)34-19-6-5-17-18(29(19)65(53,54)55)13-26(64(50,51)52)27(28(17)44)41-39-21-15-25(60-3)24(59-2)14-20(21)38-40-22-12-16(63(47,48)49)4-7-23(22)43;;;;;/h4-7,12-15,43-44H,8-11H2,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,34,35,36,37);;;;;/q;+2;4*+1/p-6