C.I.活性红238
1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-((3-(((2-(ethenylsulfonyl)ethyl)amino)carbonyl)phenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4) · CAS 116912-36-8
- 中文名
- C.I.活性红238
- 中文别名
- 暂无
- 英文名
- 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-((3-(((2-(ethenylsulfonyl)ethyl)amino)carbonyl)phenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)
- CAS
- 116912-36-8
- CID
- 137295281
- IUPAC 名称
- tetrasodium;3-[(1,5-disulfonaphthalen-2-yl)diazenyl]-5-[[4-[3-(2-ethenylsulfonylethylcarbamoyl)anilino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxynaphthalene-2,7-disulfonic acid
名称与编号
- 中文名
- C.I.活性红238
- 中文别名
- 暂无
- 英文名
- 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-((3-(((2-(ethenylsulfonyl)ethyl)amino)carbonyl)phenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)
- CAS
- 116912-36-8
- CID
- 137295281
- IUPAC 名称
- tetrasodium;3-[(1,5-disulfonaphthalen-2-yl)diazenyl]-5-[[4-[3-(2-ethenylsulfonylethylcarbamoyl)anilino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxynaphthalene-2,7-disulfonic acid
分子属性
- 分子式
- C34H27FN8Na4O16S5+4
- 分子量
- 1074.9 g/mol
- 精确质量
- 1073.972338 Da
- 单同位素质量
- 1073.972338 Da
- XLogP
- 暂无
- 极性表面积
- 430 Ų
- 氢键供体
- 8
- 氢键受体
- 24
- 可旋转键
- 15
- 重原子数
- 68
- 净电荷
- 4
- 结构复杂度
- 2290
结构标识
- InChIKey
- KFPTYLMMXJQDPD-UHFFFAOYSA-N
- SMILES
- C=CS(=O)(=O)CCNC(=O)C1=CC(=CC=C1)NC2=NC(=NC(=N2)F)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=C(C6=C(C=C5)C(=CC=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C34H27FN8O16S5.4Na/c1-2-60(46,47)12-11-36-31(45)17-5-3-6-19(13-17)37-33-39-32(35)40-34(41-33)38-24-16-20(61(48,49)50)14-18-15-26(63(54,55)56)28(29(44)27(18)24)43-42-23-10-9-21-22(30(23)64(57,58)59)7-4-8-25(21)62(51,52)53;;;;/h2-10,13-16,44H,1,11-12H2,(H,36,45)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H2,37,38,39,40,41);;;;/q;4*+1