[8-羟基-7-[[3-羟基-4'-[[1-羟基 -6-(苯基氨基)-3-磺基-2-萘基]偶氮]-3'-甲氧基[1,1'-联苯基]-4-基] 偶氮]-1,6-萘二磺酸酯合(5-)]-铜酸三钠

Cuprate(3-), [8-hydroxy-7-[[3-hydroxy-4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3'-methoxy[1,1'-biphenyl]-4-yl]azo]-1,6-naphthalenedisulfonato(5-)]-, trisodium · CAS 83232-52-4

中文名: [8-羟基-7-[[3-羟基-4'-[[1-羟基 -6-(苯基氨基)-3-磺基-2-萘基]偶氮]-3'-甲氧基[1,1'-联苯基]-4-基] 偶氮]-1,6-萘二磺酸酯合(5-)]-铜酸三钠
中文别名: 暂无
英文名: Cuprate(3-), [8-hydroxy-7-[[3-hydroxy-4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3'-methoxy[1,1'-biphenyl]-4-yl]azo]-1,6-naphthalenedisulfonato(5-)]-, trisodium
CAS: 83232-52-4
CID: 136160618
IUPAC 名称: trisodium;7-[[4-[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,6-disulfonic acid;copper

名称与编号

中文名: [8-羟基-7-[[3-羟基-4'-[[1-羟基 -6-(苯基氨基)-3-磺基-2-萘基]偶氮]-3'-甲氧基[1,1'-联苯基]-4-基] 偶氮]-1,6-萘二磺酸酯合(5-)]-铜酸三钠
中文别名: 暂无
英文名: Cuprate(3-), [8-hydroxy-7-[[3-hydroxy-4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3'-methoxy[1,1'-biphenyl]-4-yl]azo]-1,6-naphthalenedisulfonato(5-)]-, trisodium
CAS: 83232-52-4
CID: 136160618
IUPAC 名称: trisodium;7-[[4-[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,6-disulfonic acid;copper

分子属性

分子式: C39H29CuN5Na3O13S3+3
分子量: 1004.4 g/mol
精确质量: 1002.991304 Da
单同位素质量: 1002.991304 Da
XLogP: 暂无
极性表面积: 320 Å²
氢键供体: 7
氢键受体: 18
可旋转键: 3
重原子数: 64
净电荷: 3
结构复杂度: 1860

结构标识

InChIKey: BDSLGFVUDYFGEW-UHFFFAOYSA-N
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=CC=C(C4=C3O)S(=O)(=O)O)S(=O)(=O)O)O)N=NC5=C(C=C6C=C(C=CC6=C5O)NC7=CC=CC=C7)S(=O)(=O)O.[Na+].[Na+].[Na+].[Cu]
InChI: InChI=1S/C39H29N5O13S3.Cu.3Na/c1-57-31-18-22(11-15-29(31)42-43-36-34(60(54,55)56)20-24-16-26(12-13-27(24)38(36)46)40-25-7-3-2-4-8-25)21-10-14-28(30(45)17-21)41-44-37-33(59(51,52)53)19-23-6-5-9-32(58(48,49)50)35(23)39(37)47;;;;/h2-20,40,45-47H,1H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;;3*+1