双[4-[[6-[[4-氯-6-(苯基氨)-1,3,5- 三嗪-2-基]氨基]-1-羟基-3-磺基-2- 萘基]偶氮基]-3-羟基-7-硝基-1-萘磺酸根合(4-)]铬酸(5-)五钠盐

Pentasodium bis(4-((6-((6-anilino-4-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonato(4-))chromate(5-) · CAS 75268-75-6

中文名: 双[4-[[6-[[4-氯-6-(苯基氨)-1,3,5- 三嗪-2-基]氨基]-1-羟基-3-磺基-2- 萘基]偶氮基]-3-羟基-7-硝基-1-萘磺酸根合(4-)]铬酸(5-)五钠盐
中文别名: 暂无
英文名: Pentasodium bis(4-((6-((6-anilino-4-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonato(4-))chromate(5-)
CAS: 75268-75-6
CID: 136056803
IUPAC 名称: pentasodium;bis(7-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);chromium

名称与编号

中文名: 双[4-[[6-[[4-氯-6-(苯基氨)-1,3,5- 三嗪-2-基]氨基]-1-羟基-3-磺基-2- 萘基]偶氮基]-3-羟基-7-硝基-1-萘磺酸根合(4-)]铬酸(5-)五钠盐
中文别名: 暂无
英文名: Pentasodium bis(4-((6-((6-anilino-4-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonato(4-))chromate(5-)
CAS: 75268-75-6
CID: 136056803
IUPAC 名称: pentasodium;bis(7-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);chromium

分子属性

分子式: C58H38Cl2CrN16Na5O20S4+5
分子量: 1645.1 g/mol
精确质量: 1642.960169 Da
单同位素质量: 1642.960169 Da
XLogP: 暂无
极性表面积: 598 Å²
氢键供体: 12
氢键受体: 34
可旋转键: 8
重原子数: 106
净电荷: 5
结构复杂度: 3110

结构标识

InChIKey: HHTADVDSNXKOPA-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=C6C=CC(=CC6=C(C=C5O)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O.C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=C6C=CC(=CC6=C(C=C5O)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Cr]
InChI: InChI=1S/2C29H19ClN8O10S2.Cr.5Na/c2*30-27-33-28(31-15-4-2-1-3-5-15)35-29(34-27)32-16-6-8-18-14(10-16)11-23(50(46,47)48)25(26(18)40)37-36-24-19-9-7-17(38(41)42)12-20(19)22(13-21(24)39)49(43,44)45;;;;;;/h2*1-13,39-40H,(H,43,44,45)(H,46,47,48)(H2,31,32,33,34,35);;;;;;/q;;;5*+1