[μ[4-[[3,3'-二羟基-4'-[[1-羟基 -6-(苯氨基)-3-磺基-2-萘基]偶氮](1,1'-二苯基)-4-基]偶氮]-3-羟基-2,7-萘二磺酸盐(7-)]]二铜酸盐 (3-),三钠

Cuprate(3-), (mu-(4-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, sodium (1:3) · CAS 68140-37-4

中文名: [μ[4-[[3,3'-二羟基-4'-[[1-羟基 -6-(苯氨基)-3-磺基-2-萘基]偶氮](1,1'-二苯基)-4-基]偶氮]-3-羟基-2,7-萘二磺酸盐(7-)]]二铜酸盐 (3-),三钠
中文别名: 暂无
英文名: Cuprate(3-), (mu-(4-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, sodium (1:3)
CAS: 68140-37-4
CID: 109613
IUPAC 名称: dicopper;trisodium;4-[[5-[4-[(6-anilino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate

名称与编号

中文名: [μ[4-[[3,3'-二羟基-4'-[[1-羟基 -6-(苯氨基)-3-磺基-2-萘基]偶氮](1,1'-二苯基)-4-基]偶氮]-3-羟基-2,7-萘二磺酸盐(7-)]]二铜酸盐 (3-),三钠
中文别名: 暂无
英文名: Cuprate(3-), (mu-(4-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, sodium (1:3)
CAS: 68140-37-4
CID: 109613
IUPAC 名称: dicopper;trisodium;4-[[5-[4-[(6-anilino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate

分子属性

分子式: C38H20Cu2N5Na3O13S3
分子量: 1046.9 g/mol
精确质量: 1044.850476 Da
单同位素质量: 1044.850476 Da
XLogP: 暂无
极性表面积: 350 Å²
氢键供体: 1
氢键受体: 18
可旋转键: 7
重原子数: 64
净电荷: 0
结构复杂度: 1790

结构标识

InChIKey: PGLVXPZSWHWUIY-UHFFFAOYSA-G
SMILES: C1=CC=C(C=C1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)[O-])N=NC6=C7C=CC(=CC7=CC(=C6[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]
InChI: InChI=1S/C38H27N5O13S3.2Cu.3Na/c44-31-13-7-20(16-30(31)41-42-35-27-11-9-26(57(48,49)50)15-23(27)19-34(38(35)47)59(54,55)56)21-6-12-29(32(45)17-21)40-43-36-33(58(51,52)53)18-22-14-25(8-10-28(22)37(36)46)39-24-4-2-1-3-5-24;;;;;/h1-19,39,44-47H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;/q;2*+2;3*+1/p-7