C.I.直接蓝168
Disodium 3-((4'-((6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-1-sulphonate · CAS 3818-60-8
- 中文名
- C.I.直接蓝168
- 中文别名
- 暂无
- 英文名
- Disodium 3-((4'-((6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-1-sulphonate
- CAS
- 3818-60-8
- CID
- 165162
- IUPAC 名称
- disodium;7-anilino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2-sulfonate
名称与编号
- 中文名
- C.I.直接蓝168
- 中文别名
- 暂无
- 英文名
- Disodium 3-((4'-((6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-1-sulphonate
- CAS
- 3818-60-8
- CID
- 165162
- IUPAC 名称
- disodium;7-anilino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2-sulfonate
分子属性
- 分子式
- C40H29N5Na2O10S2
- 分子量
- 849.8 g/mol
- 精确质量
- 849.11512305 Da
- 单同位素质量
- 849.11512305 Da
- XLogP
- 暂无
- 极性表面积
- 252 Ų
- 氢键供体
- 3
- 氢键受体
- 15
- 可旋转键
- 9
- 重原子数
- 59
- 净电荷
- 0
- 结构复杂度
- 1580
结构标识
- InChIKey
- JCODDUJNTJDXSM-UHFFFAOYSA-L
- SMILES
- COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC5=CC=CC=C5)S(=O)(=O)[O-])OC)N=NC6=C(C7=CC=CC=C7C(=C6)S(=O)(=O)[O-])O.[Na+].[Na+]
- InChI
- InChI=1S/C40H31N5O10S2.2Na/c1-54-34-19-23(12-16-31(34)42-44-33-22-36(56(48,49)50)29-10-6-7-11-30(29)39(33)46)24-13-17-32(35(20-24)55-2)43-45-38-37(57(51,52)53)21-25-18-27(14-15-28(25)40(38)47)41-26-8-4-3-5-9-26;;/h3-22,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2