双[3-[[5-[[4-[[3-[[4,6-双[[3-(二 乙氨基)丙基]氨基]-1,3,5-三嗪-2- 基]氨基]苯基]偶氮]-2,5-二甲苯基] 偶氮]-2,4-二羟苯基]偶氮]-4-羟基苯 氨磺酰(2-)]合酸式高铁酸(1-)三(2- 羟丙酸盐)
ferrate(1-), bis(3-((5-((4-((3-((4,6-bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-2,5-dimethylphenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonamidato(2-))-, hydrogen, tris(2-hydroxypropanoate) (salt) · CAS 80063-38-3
- 中文名
- 双[3-[[5-[[4-[[3-[[4,6-双[[3-(二 乙氨基)丙基]氨基]-1,3,5-三嗪-2- 基]氨基]苯基]偶氮]-2,5-二甲苯基] 偶氮]-2,4-二羟苯基]偶氮]-4-羟基苯 氨磺酰(2-)]合酸式高铁酸(1-)三(2- 羟丙酸盐)
- 中文别名
- 暂无
- 英文名
- ferrate(1-), bis(3-((5-((4-((3-((4,6-bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-2,5-dimethylphenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonamidato(2-))-, hydrogen, tris(2-hydroxypropanoate) (salt)
- CAS
- 80063-38-3
- CID
- 136056749
- IUPAC 名称
- bis(3-[[5-[[4-[[3-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2,4-dihydroxyphenyl]diazenyl]-4-hydroxybenzenesulfonamide);hydron;tris(2-hydroxypropanoic acid);iron
名称与编号
- 中文名
- 双[3-[[5-[[4-[[3-[[4,6-双[[3-(二 乙氨基)丙基]氨基]-1,3,5-三嗪-2- 基]氨基]苯基]偶氮]-2,5-二甲苯基] 偶氮]-2,4-二羟苯基]偶氮]-4-羟基苯 氨磺酰(2-)]合酸式高铁酸(1-)三(2- 羟丙酸盐)
- 中文别名
- 暂无
- 英文名
- ferrate(1-), bis(3-((5-((4-((3-((4,6-bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-2,5-dimethylphenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonamidato(2-))-, hydrogen, tris(2-hydroxypropanoate) (salt)
- CAS
- 80063-38-3
- CID
- 136056749
- IUPAC 名称
- bis(3-[[5-[[4-[[3-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2,4-dihydroxyphenyl]diazenyl]-4-hydroxybenzenesulfonamide);hydron;tris(2-hydroxypropanoic acid);iron
分子属性
- 分子式
- C95H133FeN30O19S2+
- 分子量
- 2119.2 g/mol
- 精确质量
- 2118.91876 Da
- 单同位素质量
- 2117.915405 Da
- XLogP
- 暂无
- 极性表面积
- 742 Ų
- 氢键供体
- 21
- 氢键受体
- 49
- 可旋转键
- 45
- 重原子数
- 147
- 净电荷
- 1
- 结构复杂度
- 3310
结构标识
- InChIKey
- QPRYQGCDLBZRJV-UHFFFAOYSA-O
- SMILES
- [H+].CCN(CC)CCCNC1=NC(=NC(=N1)NC2=CC(=CC=C2)N=NC3=C(C=C(C(=C3)C)N=NC4=CC(=C(C=C4O)O)N=NC5=C(C=CC(=C5)S(=O)(=O)N)O)C)NCCCN(CC)CC.CCN(CC)CCCNC1=NC(=NC(=N1)NC2=CC(=CC=C2)N=NC3=C(C=C(C(=C3)C)N=NC4=CC(=C(C=C4O)O)N=NC5=C(C=CC(=C5)S(=O)(=O)N)O)C)NCCCN(CC)CC.CC(C(=O)O)O.CC(C(=O)O)O.CC(C(=O)O)O.[Fe]
- InChI
- InChI=1S/2C43H57N15O5S.3C3H6O3.Fe/c2*1-7-57(8-2)20-12-18-45-41-48-42(46-19-13-21-58(9-3)10-4)50-43(49-41)47-30-14-11-15-31(24-30)51-52-33-22-29(6)34(23-28(33)5)53-55-36-26-37(40(61)27-39(36)60)56-54-35-25-32(64(44,62)63)16-17-38(35)59;3*1-2(4)3(5)6;/h2*11,14-17,22-27,59-61H,7-10,12-13,18-21H2,1-6H3,(H2,44,62,63)(H3,45,46,47,48,49,50);3*2,4H,1H3,(H,5,6);/p+1