5-[[4-氯-6-[[4-[[2-(磺酰氧基)乙 基]磺酰基]苯基]氨基]-1,3,5-三嗪 -2-基]氨基]-4-羟基-3-[[4-[[2-(磺 酰氧基)乙基]磺酰基]苯基]偶 氮]-2,7-萘二磺酸四钠盐
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4) · CAS 111211-40-6
- 中文名
- 5-[[4-氯-6-[[4-[[2-(磺酰氧基)乙 基]磺酰基]苯基]氨基]-1,3,5-三嗪 -2-基]氨基]-4-羟基-3-[[4-[[2-(磺 酰氧基)乙基]磺酰基]苯基]偶 氮]-2,7-萘二磺酸四钠盐
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)
- CAS
- 111211-40-6
- CID
- 136086277
- IUPAC 名称
- tetrasodium;5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
名称与编号
- 中文名
- 5-[[4-氯-6-[[4-[[2-(磺酰氧基)乙 基]磺酰基]苯基]氨基]-1,3,5-三嗪 -2-基]氨基]-4-羟基-3-[[4-[[2-(磺 酰氧基)乙基]磺酰基]苯基]偶 氮]-2,7-萘二磺酸四钠盐
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)
- CAS
- 111211-40-6
- CID
- 136086277
- IUPAC 名称
- tetrasodium;5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
分子属性
- 分子式
- C29H22ClN7Na4O19S6
- 分子量
- 1092.3 g/mol
- 精确质量
- 1090.8574034 Da
- 单同位素质量
- 1090.8574034 Da
- XLogP
- 暂无
- 极性表面积
- 474 Ų
- 氢键供体
- 3
- 氢键受体
- 26
- 可旋转键
- 14
- 重原子数
- 66
- 净电荷
- 0
- 结构复杂度
- 2180
结构标识
- InChIKey
- DSCQOECXSNCBQK-UHFFFAOYSA-J
- SMILES
- C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C29H26ClN7O19S6.4Na/c30-27-33-28(31-17-1-5-19(6-2-17)57(39,40)11-9-55-61(49,50)51)35-29(34-27)32-22-15-21(59(43,44)45)13-16-14-23(60(46,47)48)25(26(38)24(16)22)37-36-18-3-7-20(8-4-18)58(41,42)12-10-56-62(52,53)54;;;;/h1-8,13-15,38H,9-12H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,31,32,33,34,35);;;;/q;4*+1/p-4