5-[[2,4-二羟基-5-[(4-硝基苯基)偶氮基]苯基]偶氮基]-4-羟基-3-[(2-羟基-3,5-二硝基苯基)偶氮基]-2,7-萘二磺酸二钠

2,7-Naphthalenedisulfonic acid, 5-[2-[2,4-dihydroxy-5-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodium salt (1:2) · CAS 68155-63-5

中文名: 5-[[2,4-二羟基-5-[(4-硝基苯基)偶氮基]苯基]偶氮基]-4-羟基-3-[(2-羟基-3,5-二硝基苯基)偶氮基]-2,7-萘二磺酸二钠
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 5-[2-[2,4-dihydroxy-5-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodium salt (1:2)
CAS: 68155-63-5
CID: 16130941
IUPAC 名称: disodium;5-[[2,4-dihydroxy-5-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]naphthalene-2,7-disulfonate

名称与编号

中文名: 5-[[2,4-二羟基-5-[(4-硝基苯基)偶氮基]苯基]偶氮基]-4-羟基-3-[(2-羟基-3,5-二硝基苯基)偶氮基]-2,7-萘二磺酸二钠
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 5-[2-[2,4-dihydroxy-5-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodium salt (1:2)
CAS: 68155-63-5
CID: 16130941
IUPAC 名称: disodium;5-[[2,4-dihydroxy-5-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]naphthalene-2,7-disulfonate

分子属性

分子式: C28H15N9Na2O16S2
分子量: 843.6 g/mol
精确质量: 842.98735634 Da
单同位素质量: 842.98735634 Da
XLogP: 暂无
极性表面积: 424 Å²
氢键供体: 4
氢键受体: 22
可旋转键: 6
重原子数: 57
净电荷: 0
结构复杂度: 1690

结构标识

InChIKey: WMEHWGRJJSAYSJ-UHFFFAOYSA-L
SMILES: C1=CC(=CC=C1N=NC2=CC(=C(C=C2O)O)N=NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])O)S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]
InChI: InChI=1S/C28H17N9O16S2.2Na/c38-22-11-23(39)18(10-17(22)30-29-13-1-3-14(4-2-13)35(42)43)31-32-19-9-16(54(48,49)50)5-12-6-24(55(51,52)53)26(28(41)25(12)19)34-33-20-7-15(36(44)45)8-21(27(20)40)37(46)47;;/h1-11,38-41H,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2