5-[[4-氯-6-[4-(2-磺氧基乙基磺酰基)苯胺基]-1,3,5-三嗪-2-基]氨基]-4-氧代羟基-3-[2-(2-硫代-1-萘基)偶氮基]萘-2,7-二磺酸四钠盐
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-(2-sulfo-1-naphthalenyl)diazenyl)-, sodium salt (1:4) · CAS 125830-49-1
- 中文名
- 5-[[4-氯-6-[4-(2-磺氧基乙基磺酰基)苯胺基]-1,3,5-三嗪-2-基]氨基]-4-氧代羟基-3-[2-(2-硫代-1-萘基)偶氮基]萘-2,7-二磺酸四钠盐
- 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-(2-sulfo-1-naphthalenyl)diazenyl)-, sodium salt (1:4)
- CAS
- 125830-49-1
- CID
- 136192378
- IUPAC 名称
- tetrasodium;5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
名称与编号
- 中文名
- 5-[[4-氯-6-[4-(2-磺氧基乙基磺酰基)苯胺基]-1,3,5-三嗪-2-基]氨基]-4-氧代羟基-3-[2-(2-硫代-1-萘基)偶氮基]萘-2,7-二磺酸四钠盐
- 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-(2-sulfo-1-naphthalenyl)diazenyl)-, sodium salt (1:4)
- CAS
- 125830-49-1
- CID
- 136192378
- IUPAC 名称
- tetrasodium;5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
分子属性
- 分子式
- C31H20ClN7Na4O16S5
- 分子量
- 1034.3 g/mol
- 精确质量
- 1032.8849383 Da
- 单同位素质量
- 1032.8849383 Da
- XLogP
- 暂无
- 极性表面积
- 422 Ų
- 氢键供体
- 3
- 氢键受体
- 23
- 可旋转键
- 10
- 重原子数
- 64
- 净电荷
- 0
- 结构复杂度
- 2030
结构标识
- InChIKey
- VJRCDNIETHXHCZ-UHFFFAOYSA-J
- SMILES
- C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C31H24ClN7O16S5.4Na/c32-29-35-30(33-18-6-8-19(9-7-18)56(41,42)12-11-55-60(52,53)54)37-31(36-29)34-22-15-20(57(43,44)45)13-17-14-24(59(49,50)51)27(28(40)25(17)22)39-38-26-21-4-2-1-3-16(21)5-10-23(26)58(46,47)48;;;;/h1-10,13-15,40H,11-12H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,33,34,35,36,37);;;;/q;4*+1/p-4