4-氨-6-[[5-[(4-氨-6-氯-1,3,5-三嗪 -2-基)氨基]-2-磺基-4,3-二 [[[4-[[2-(磺酰氧基)乙烷基]磺酰基] 苯基]偶氮]]苯基]偶氮]-5-羟基-2,7- 萘二磺酸钠
Sodium 5-amino-3-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid · CAS 157707-93-2
- 中文名
- 4-氨-6-[[5-[(4-氨-6-氯-1,3,5-三嗪 -2-基)氨基]-2-磺基-4,3-二 [[[4-[[2-(磺酰氧基)乙烷基]磺酰基] 苯基]偶氮]]苯基]偶氮]-5-羟基-2,7- 萘二磺酸钠
- 中文别名
- 暂无
- 英文名
- Sodium 5-amino-3-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
- CAS
- 157707-93-2
- CID
- 137295282
- IUPAC 名称
- sodium 5-amino-3-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
名称与编号
- 中文名
- 4-氨-6-[[5-[(4-氨-6-氯-1,3,5-三嗪 -2-基)氨基]-2-磺基-4,3-二 [[[4-[[2-(磺酰氧基)乙烷基]磺酰基] 苯基]偶氮]]苯基]偶氮]-5-羟基-2,7- 萘二磺酸钠
- 中文别名
- 暂无
- 英文名
- Sodium 5-amino-3-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
- CAS
- 157707-93-2
- CID
- 137295282
- IUPAC 名称
- sodium 5-amino-3-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
分子属性
- 分子式
- C35H31ClN12NaO22S7+
- 分子量
- 1254.6 g/mol
- 精确质量
- 1252.9307059 Da
- 单同位素质量
- 1252.9307059 Da
- XLogP
- 暂无
- 极性表面积
- 614 Ų
- 氢键供体
- 9
- 氢键受体
- 34
- 可旋转键
- 21
- 重原子数
- 78
- 净电荷
- 1
- 结构复杂度
- 2930
结构标识
- InChIKey
- ZRQXVGDXWHQCRU-UHFFFAOYSA-N
- SMILES
- C1=CC(=CC=C1N=NC2=CC(=C(C=C2NC3=NC(=NC(=N3)N)Cl)N=NC4=C(C5=C(C(=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)N=NC6=CC=C(C=C6)S(=O)(=O)CCOS(=O)(=O)O)N)O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O.[Na+]
- InChI
- InChI=1S/C35H31ClN12O22S7.Na/c36-33-40-34(38)42-35(41-33)39-22-15-24(25(73(54,55)56)16-23(22)45-43-18-1-5-20(6-2-18)71(50,51)11-9-69-76(63,64)65)46-48-31-27(75(60,61)62)14-17-13-26(74(57,58)59)30(29(37)28(17)32(31)49)47-44-19-3-7-21(8-4-19)72(52,53)12-10-70-77(66,67)68;/h1-8,13-16,49H,9-12,37H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,38,39,40,41,42);/q;+1