[μ-[5-(乙酰氨基)-3-[[4'-[(1,8-二羟基-4-磺基-2-萘基)偶氮]-3,3'-二羟基[1,1'-联苯]-4-基]偶氮]-4-羟基 -2,7-萘二磺酸根合(7-)]]二铜酸(3-) 三钠

Cuprate(3-), (mu-(5-(acetylamino)-3-((4'-((1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(7-)))di-, trisodium · CAS 83232-54-6

中文名: [μ-[5-(乙酰氨基)-3-[[4'-[(1,8-二羟基-4-磺基-2-萘基)偶氮]-3,3'-二羟基[1,1'-联苯]-4-基]偶氮]-4-羟基 -2,7-萘二磺酸根合(7-)]]二铜酸(3-) 三钠
中文别名: 暂无
英文名: Cuprate(3-), (mu-(5-(acetylamino)-3-((4'-((1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(7-)))di-, trisodium
CAS: 83232-54-6
CID: 136160666
IUPAC 名称: trisodium;5-acetamido-3-[[4-[4-[(1,8-dihydroxy-4-sulfonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid;copper

名称与编号

中文名: [μ-[5-(乙酰氨基)-3-[[4'-[(1,8-二羟基-4-磺基-2-萘基)偶氮]-3,3'-二羟基[1,1'-联苯]-4-基]偶氮]-4-羟基 -2,7-萘二磺酸根合(7-)]]二铜酸(3-) 三钠
中文别名: 暂无
英文名: Cuprate(3-), (mu-(5-(acetylamino)-3-((4'-((1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(7-)))di-, trisodium
CAS: 83232-54-6
CID: 136160666
IUPAC 名称: trisodium;5-acetamido-3-[[4-[4-[(1,8-dihydroxy-4-sulfonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid;copper

分子属性

分子式: C34H25Cu2N5Na3O15S3+3
分子量: 1035.8 g/mol
精确质量: 1033.879431 Da
单同位素质量: 1033.879431 Da
XLogP: 暂无
极性表面积: 368 Å²
氢键供体: 9
氢键受体: 19
可旋转键: 2
重原子数: 62
净电荷: 3
结构复杂度: 1850

结构标识

InChIKey: IJKFYUQLHVPEKQ-UHFFFAOYSA-N
SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=CC(=C6C=CC=C(C6=C5O)O)S(=O)(=O)O)O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Cu].[Cu]
InChI: InChI=1S/C34H25N5O15S3.2Cu.3Na/c1-15(40)35-23-13-19(55(46,47)48)9-18-12-29(57(52,53)54)32(34(45)30(18)23)39-37-22-8-6-17(11-27(22)43)16-5-7-21(26(42)10-16)36-38-24-14-28(56(49,50)51)20-3-2-4-25(41)31(20)33(24)44;;;;;/h2-14,41-45H,1H3,(H,35,40)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;/q;;;3*+1