[μ-[3-[[4'-[[6-(苯甲酰氨基)-1-羟基-3-磺基-2-萘基]偶氮基]-3,3'-二羟基(1,1'-联苯基)-4-基]偶氮基]-4,5-二羟基-2,7-萘二磺酸根合 (7-)]]]双铜酸(3-)三钠盐

Cuprate(3-), [mu-[3-[2-[4'-[2-[6-(benzoylamino)-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1]-3,3'-di(hydroxy-kappaO)[1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-4-(hydroxy-kappaO)-5-hydroxy-2,7-naphthalenedisulfonato(7-)]]di-, sodium (1:3) · CAS 75284-35-4

中文名: [μ-[3-[[4'-[[6-(苯甲酰氨基)-1-羟基-3-磺基-2-萘基]偶氮基]-3,3'-二羟基(1,1'-联苯基)-4-基]偶氮基]-4,5-二羟基-2,7-萘二磺酸根合 (7-)]]]双铜酸(3-)三钠盐
中文别名: 暂无
英文名: Cuprate(3-), [mu-[3-[2-[4'-[2-[6-(benzoylamino)-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1]-3,3'-di(hydroxy-kappaO)[1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-4-(hydroxy-kappaO)-5-hydroxy-2,7-naphthalenedisulfonato(7-)]]di-, sodium (1:3)
CAS: 75284-35-4
CID: 154734719
IUPAC 名称: dicopper;trisodium;3-[[4-[4-[(6-benzamido-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-5-hydroxy-4-oxidonaphthalene-2,7-disulfonate

名称与编号

中文名: [μ-[3-[[4'-[[6-(苯甲酰氨基)-1-羟基-3-磺基-2-萘基]偶氮基]-3,3'-二羟基(1,1'-联苯基)-4-基]偶氮基]-4,5-二羟基-2,7-萘二磺酸根合 (7-)]]]双铜酸(3-)三钠盐
中文别名: 暂无
英文名: Cuprate(3-), [mu-[3-[2-[4'-[2-[6-(benzoylamino)-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1]-3,3'-di(hydroxy-kappaO)[1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-4-(hydroxy-kappaO)-5-hydroxy-2,7-naphthalenedisulfonato(7-)]]di-, sodium (1:3)
CAS: 75284-35-4
CID: 154734719
IUPAC 名称: dicopper;trisodium;3-[[4-[4-[(6-benzamido-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-5-hydroxy-4-oxidonaphthalene-2,7-disulfonate

分子属性

分子式: C39H20Cu2N5Na3O15S3
分子量: 1090.9 g/mol
精确质量: 1088.840306 Da
单同位素质量: 1088.840306 Da
XLogP: 暂无
极性表面积: 388 Å²
氢键供体: 2
氢键受体: 19
可旋转键: 7
重原子数: 67
净电荷: 0
结构复杂度: 1930

结构标识

InChIKey: BIFGPVXQNPUMCQ-UHFFFAOYSA-G
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N=NC6=C(C7=C(C=C(C=C7C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])O)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]
InChI: InChI=1S/C39H27N5O15S3.2Cu.3Na/c45-29-14-20(21-7-11-28(30(46)15-21)42-44-36-33(62(57,58)59)17-23-13-25(60(51,52)53)18-31(47)34(23)38(36)49)6-10-27(29)41-43-35-32(61(54,55)56)16-22-12-24(8-9-26(22)37(35)48)40-39(50)19-4-2-1-3-5-19;;;;;/h1-18,45-49H,(H,40,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);;;;;/q;2*+2;3*+1/p-7