[μ-[4-[[4'-[(6-氨基-1-羟基-3-磺基-2-萘基)偶氮]-3,3'-二羟基(1,1'- 二苯基)-4-基]偶氮]-3-羟基-2,7-萘二磺酸(7-)]]合二铜酸(3-)三钠盐

Cuprate(3-), [mu-[4-[2-[4'-[2-[6-amino-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1]-3,3'-di(hydroxy-kappaO)[1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, sodium (1:3) · CAS 66418-17-5

中文名: [μ-[4-[[4'-[(6-氨基-1-羟基-3-磺基-2-萘基)偶氮]-3,3'-二羟基(1,1'- 二苯基)-4-基]偶氮]-3-羟基-2,7-萘二磺酸(7-)]]合二铜酸(3-)三钠盐
中文别名: 暂无
英文名: Cuprate(3-), [mu-[4-[2-[4'-[2-[6-amino-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1]-3,3'-di(hydroxy-kappaO)[1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, sodium (1:3)
CAS: 66418-17-5
CID: 94618
IUPAC 名称: dicopper;trisodium;4-[[4-[4-[(6-amino-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-[[4'-[(6-氨基-1-羟基-3-磺基-2-萘基)偶氮]-3,3'-二羟基(1,1'- 二苯基)-4-基]偶氮]-3-羟基-2,7-萘二磺酸(7-)]]合二铜酸(3-)三钠盐
中文别名: 暂无
英文名: Cuprate(3-), [mu-[4-[2-[4'-[2-[6-amino-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1]-3,3'-di(hydroxy-kappaO)[1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, sodium (1:3)
CAS: 66418-17-5
CID: 94618
IUPAC 名称: dicopper;trisodium;4-[[4-[4-[(6-amino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate

分子属性

分子式: C32H16Cu2N5Na3O13S3
分子量: 970.8 g/mol
精确质量: 968.819176 Da
单同位素质量: 968.819176 Da
XLogP: 暂无
极性表面积: 364 Å²
氢键供体: 1
氢键受体: 18
可旋转键: 5
重原子数: 58
净电荷: 0
结构复杂度: 1640

结构标识

InChIKey: ISIJQZDXBUUBMQ-UHFFFAOYSA-G
SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3[O-])N)S(=O)(=O)[O-])[O-])[O-])N=NC5=C6C=CC(=CC6=CC(=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]
InChI: InChI=1S/C32H23N5O13S3.2Cu.3Na/c33-19-3-5-22-17(9-19)13-27(52(45,46)47)30(31(22)40)37-35-24-8-2-16(12-26(24)39)15-1-7-23(25(38)11-15)34-36-29-21-6-4-20(51(42,43)44)10-18(21)14-28(32(29)41)53(48,49)50;;;;;/h1-14,38-41H,33H2,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;;/q;2*+2;3*+1/p-7