6-[[2-氨基-4-[(2-羟乙基)氨基]苯 基]偶氮]-3-[[4-[[4-[[7-[(2-氨 基)-4-[(2-羟乙基)氨基]苯基]偶 氮]-1-羟基-3-磺基-2-萘基]偶氮]苯 基]氨基]-3-磺苯基]偶氮]-4-羟基-2- 萘磺酸三钠盐
2-naphthalenesulfonic acid, 6-((2-amino-4-((2-hydroxyethyl)amino)phenyl)azo)-3-((4-((4-((7-((2-amino-4-((2-hydroxyethyl)amino)phenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, trisodium salt · CAS 6428-38-2
- 中文名
- 6-[[2-氨基-4-[(2-羟乙基)氨基]苯 基]偶氮]-3-[[4-[[4-[[7-[(2-氨 基)-4-[(2-羟乙基)氨基]苯基]偶 氮]-1-羟基-3-磺基-2-萘基]偶氮]苯 基]氨基]-3-磺苯基]偶氮]-4-羟基-2- 萘磺酸三钠盐
- 中文别名
- 暂无
- 英文名
- 2-naphthalenesulfonic acid, 6-((2-amino-4-((2-hydroxyethyl)amino)phenyl)azo)-3-((4-((4-((7-((2-amino-4-((2-hydroxyethyl)amino)phenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, trisodium salt
- CAS
- 6428-38-2
- CID
- 197069
- IUPAC 名称
- trisodium;6-[[2-amino-4-(2-hydroxyethylamino)phenyl]diazenyl]-3-[[4-[4-[[7-[[2-amino-4-(2-hydroxyethylamino)phenyl]diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
名称与编号
- 中文名
- 6-[[2-氨基-4-[(2-羟乙基)氨基]苯 基]偶氮]-3-[[4-[[4-[[7-[(2-氨 基)-4-[(2-羟乙基)氨基]苯基]偶 氮]-1-羟基-3-磺基-2-萘基]偶氮]苯 基]氨基]-3-磺苯基]偶氮]-4-羟基-2- 萘磺酸三钠盐
- 中文别名
- 暂无
- 英文名
- 2-naphthalenesulfonic acid, 6-((2-amino-4-((2-hydroxyethyl)amino)phenyl)azo)-3-((4-((4-((7-((2-amino-4-((2-hydroxyethyl)amino)phenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, trisodium salt
- CAS
- 6428-38-2
- CID
- 197069
- IUPAC 名称
- trisodium;6-[[2-amino-4-(2-hydroxyethylamino)phenyl]diazenyl]-3-[[4-[4-[[7-[[2-amino-4-(2-hydroxyethylamino)phenyl]diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
分子属性
- 分子式
- C48H40N13Na3O13S3
- 分子量
- 1172.1 g/mol
- 精确质量
- 1171.17237475 Da
- 单同位素质量
- 1171.17237475 Da
- XLogP
- 暂无
- 极性表面积
- 465 Ų
- 氢键供体
- 9
- 氢键受体
- 26
- 可旋转键
- 16
- 重原子数
- 80
- 净电荷
- 0
- 结构复杂度
- 2330
结构标识
- InChIKey
- ZCLZGAIIRSGUNH-UHFFFAOYSA-K
- SMILES
- C1=CC(=CC=C1NC2=C(C=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N=NC5=C(C=C(C=C5)NCCO)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=C7C=CC(=CC7=C6O)N=NC8=C(C=C(C=C8)NCCO)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C48H43N13O13S3.3Na/c49-37-23-30(51-15-17-62)9-12-39(37)58-55-32-3-1-26-19-43(76(69,70)71)45(47(64)35(26)21-32)60-54-29-7-5-28(6-8-29)53-41-14-11-34(25-42(41)75(66,67)68)57-61-46-44(77(72,73)74)20-27-2-4-33(22-36(27)48(46)65)56-59-40-13-10-31(24-38(40)50)52-16-18-63;;;/h1-14,19-25,51-53,62-65H,15-18,49-50H2,(H,66,67,68)(H,69,70,71)(H,72,73,74);;;/q;3*+1/p-3