7,7'-(羰二亚氨基)二(4-羟基-3-[(2-甲基-4-磺酸基苯基)偶氮基]-2-萘磺 酸和三乙醇胺的化合物(1:4)
7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((2-methyl-4-sulphophenyl)azo)naphthalene-2-sulphonic) acid, compound with 2,2',2''-nitrilotriethanol (1:4) · CAS 38801-07-9
- 中文名
- 7,7'-(羰二亚氨基)二(4-羟基-3-[(2-甲基-4-磺酸基苯基)偶氮基]-2-萘磺 酸和三乙醇胺的化合物(1:4)
- 中文别名
- 暂无
- 英文名
- 7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((2-methyl-4-sulphophenyl)azo)naphthalene-2-sulphonic) acid, compound with 2,2',2''-nitrilotriethanol (1:4)
- CAS
- 38801-07-9
- CID
- 162329
- IUPAC 名称
- tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);4-hydroxy-7-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
名称与编号
- 中文名
- 7,7'-(羰二亚氨基)二(4-羟基-3-[(2-甲基-4-磺酸基苯基)偶氮基]-2-萘磺 酸和三乙醇胺的化合物(1:4)
- 中文别名
- 暂无
- 英文名
- 7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((2-methyl-4-sulphophenyl)azo)naphthalene-2-sulphonic) acid, compound with 2,2',2''-nitrilotriethanol (1:4)
- CAS
- 38801-07-9
- CID
- 162329
- IUPAC 名称
- tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);4-hydroxy-7-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
分子属性
- 分子式
- C59H88N10O27S4
- 分子量
- 1497.6 g/mol
- 精确质量
- 1496.4703223 Da
- 单同位素质量
- 1496.4703223 Da
- XLogP
- 暂无
- 极性表面积
- 638 Ų
- 氢键供体
- 20
- 氢键受体
- 35
- 可旋转键
- 34
- 重原子数
- 100
- 净电荷
- 0
- 结构复杂度
- 1970
结构标识
- InChIKey
- SFMSOJXWEVMKSD-UHFFFAOYSA-N
- SMILES
- CC1=C(C=CC(=C1)S(=O)(=O)O)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=C(C=C(C=C6)S(=O)(=O)O)C)S(=O)(=O)O)S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO
- InChI
- InChI=1S/C35H28N6O15S4.4C6H15NO3/c1-17-11-23(57(45,46)47)5-9-27(17)38-40-31-29(59(51,52)53)15-19-13-21(3-7-25(19)33(31)42)36-35(44)37-22-4-8-26-20(14-22)16-30(60(54,55)56)32(34(26)43)41-39-28-10-6-24(12-18(28)2)58(48,49)50;4*8-4-1-7(2-5-9)3-6-10/h3-16,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);4*8-10H,1-6H2