4-氨基-6-[[5-[4-氯-6-[[4-2-(磺基 氧基)乙基]磺酰基]苯基]氨]-1,3,5-三嗪-2-基]氨]-2-磺苯基]偶氮]-5-羟 基-3-[[2-磺基-4-[[2-(磺氧)乙基]磺 酰基]苯基]偶氮]-2,7-萘二磺酸六钠 盐
2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-3-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:6) · CAS 503155-14-4
- 中文名
- 4-氨基-6-[[5-[4-氯-6-[[4-2-(磺基 氧基)乙基]磺酰基]苯基]氨]-1,3,5-三嗪-2-基]氨]-2-磺苯基]偶氮]-5-羟 基-3-[[2-磺基-4-[[2-(磺氧)乙基]磺 酰基]苯基]偶氮]-2,7-萘二磺酸六钠 盐
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-3-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:6)
- CAS
- 503155-14-4
- CID
- 177841724
- IUPAC 名称
- hexasodium;5-amino-3-[[5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxy-6-[[2-sulfonato-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
名称与编号
- 中文名
- 4-氨基-6-[[5-[4-氯-6-[[4-2-(磺基 氧基)乙基]磺酰基]苯基]氨]-1,3,5-三嗪-2-基]氨]-2-磺苯基]偶氮]-5-羟 基-3-[[2-磺基-4-[[2-(磺氧)乙基]磺 酰基]苯基]偶氮]-2,7-萘二磺酸六钠 盐
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-3-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:6)
- CAS
- 503155-14-4
- CID
- 177841724
- IUPAC 名称
- hexasodium;5-amino-3-[[5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxy-6-[[2-sulfonato-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
分子属性
- 分子式
- C35H25ClN10Na6O25S8
- 分子量
- 1415.6 g/mol
- 精确质量
- 1413.7832691 Da
- 单同位素质量
- 1413.7832691 Da
- XLogP
- 暂无
- 极性表面积
- 655 Ų
- 氢键供体
- 4
- 氢键受体
- 35
- 可旋转键
- 16
- 重原子数
- 85
- 净电荷
- 0
- 结构复杂度
- 3040
结构标识
- InChIKey
- LHNTYQPCNWIZJP-UHFFFAOYSA-H
- SMILES
- C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)[O-])N=NC4=C(C5=C(C(=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=C(C=C6)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])N)O)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C35H31ClN10O25S8.6Na/c36-33-40-34(38-18-1-4-20(5-2-18)72(48,49)11-9-70-78(64,65)66)42-35(41-33)39-19-3-8-24(74(52,53)54)23(15-19)44-46-31-27(77(61,62)63)14-17-13-26(76(58,59)60)30(29(37)28(17)32(31)47)45-43-22-7-6-21(16-25(22)75(55,56)57)73(50,51)12-10-71-79(67,68)69;;;;;;/h1-8,13-16,47H,9-12,37H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,38,39,40,41,42);;;;;;/q;6*+1/p-6