C.I.活性棕44
Tetrasodium 2-(6-chloro-4-(4-(2,5-dimethyl-4-(2,5-disulfonatophenylazo)phenylazo)-3-ureidoanilino)-1,3,5-triazin-2-ylamino)benzene-1,4-disulfonate · CAS 95078-21-0
- 中文名
- C.I.活性棕44
- 中文别名
- 暂无
- 英文名
- Tetrasodium 2-(6-chloro-4-(4-(2,5-dimethyl-4-(2,5-disulfonatophenylazo)phenylazo)-3-ureidoanilino)-1,3,5-triazin-2-ylamino)benzene-1,4-disulfonate
- CAS
- 95078-21-0
- CID
- 11969498
- IUPAC 名称
- tetrasodium;2-[[4-[3-(carbamoylamino)-4-[[4-[(2,5-disulfonatophenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
名称与编号
- 中文名
- C.I.活性棕44
- 中文别名
- 暂无
- 英文名
- Tetrasodium 2-(6-chloro-4-(4-(2,5-dimethyl-4-(2,5-disulfonatophenylazo)phenylazo)-3-ureidoanilino)-1,3,5-triazin-2-ylamino)benzene-1,4-disulfonate
- CAS
- 95078-21-0
- CID
- 11969498
- IUPAC 名称
- tetrasodium;2-[[4-[3-(carbamoylamino)-4-[[4-[(2,5-disulfonatophenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
分子属性
- 分子式
- C30H22ClN11Na4O13S4
- 分子量
- 1000.2 g/mol
- 精确质量
- 998.9560693 Da
- 单同位素质量
- 998.9560693 Da
- XLogP
- 暂无
- 极性表面积
- 430 Ų
- 氢键供体
- 4
- 氢键受体
- 22
- 可旋转键
- 9
- 重原子数
- 63
- 净电荷
- 0
- 结构复杂度
- 1930
结构标识
- InChIKey
- GOYSETVXURAYIF-UHFFFAOYSA-J
- SMILES
- CC1=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl)NC5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N.[Na+].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C30H26ClN11O13S4.4Na/c1-14-10-21(41-42-24-13-18(57(47,48)49)5-8-26(24)59(53,54)55)15(2)9-20(14)40-39-19-6-3-16(11-22(19)34-28(32)43)33-29-36-27(31)37-30(38-29)35-23-12-17(56(44,45)46)4-7-25(23)58(50,51)52;;;;/h3-13H,1-2H3,(H3,32,34,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,33,35,36,37,38);;;;/q;4*+1/p-4