[1-[(5-氯-2-羟苯基)偶氮]-2-萘酚基 (2-)][4-羟基-3-[(2-羟基-3,5-二硝基苯基)偶氮]-7-[(4-甲氧基苯基)氨基]-2-萘磺酸(3-)]合铬酸(2-)二钠

Disodium (1-((5-chloro-2-hydroxyphenyl)azo)-2-naphthalenolato(2-))(4-hydroxy-3-((2-hydroxy-3,5-dinitrophenyl)azo)-7-((4-methoxyphenyl)amino)-2-naphthalenesulfonato(3-)) chromate(2-) · CAS 118685-33-9

中文名: [1-[(5-氯-2-羟苯基)偶氮]-2-萘酚基 (2-)][4-羟基-3-[(2-羟基-3,5-二硝基苯基)偶氮]-7-[(4-甲氧基苯基)氨基]-2-萘磺酸(3-)]合铬酸(2-)二钠
中文别名: 暂无
英文名: Disodium (1-((5-chloro-2-hydroxyphenyl)azo)-2-naphthalenolato(2-))(4-hydroxy-3-((2-hydroxy-3,5-dinitrophenyl)azo)-7-((4-methoxyphenyl)amino)-2-naphthalenesulfonato(3-)) chromate(2-)
CAS: 118685-33-9
CID: 129318128
IUPAC 名称: disodium;1-[(5-chloro-2-oxidophenyl)diazenyl]naphthalen-2-olate;chromium(3+);3-[(3,5-dinitro-2-oxidophenyl)diazenyl]-7-(4-methoxyanilino)-4-oxidonaphthalene-2-sulfonate

名称与编号

中文名: [1-[(5-氯-2-羟苯基)偶氮]-2-萘酚基 (2-)][4-羟基-3-[(2-羟基-3,5-二硝基苯基)偶氮]-7-[(4-甲氧基苯基)氨基]-2-萘磺酸(3-)]合铬酸(2-)二钠
中文别名: 暂无
英文名: Disodium (1-((5-chloro-2-hydroxyphenyl)azo)-2-naphthalenolato(2-))(4-hydroxy-3-((2-hydroxy-3,5-dinitrophenyl)azo)-7-((4-methoxyphenyl)amino)-2-naphthalenesulfonato(3-)) chromate(2-)
CAS: 118685-33-9
CID: 129318128
IUPAC 名称: disodium;1-[(5-chloro-2-oxidophenyl)diazenyl]naphthalen-2-olate;chromium(3+);3-[(3,5-dinitro-2-oxidophenyl)diazenyl]-7-(4-methoxyanilino)-4-oxidonaphthalene-2-sulfonate

分子属性

分子式: C39H23ClCrN7Na2O12S
分子量: 947.1 g/mol
精确质量: 946.001436 Da
单同位素质量: 946.001436 Da
XLogP: 暂无
极性表面积: 320 Å²
氢键供体: 1
氢键受体: 17
可旋转键: 3
重原子数: 63
净电荷: 0
结构复杂度: 1590

结构标识

InChIKey: RCYWDAZSWKWRIV-UHFFFAOYSA-I
SMILES: COC1=CC=C(C=C1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])[O-])S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)[O-])[O-].[Na+].[Na+].[Cr+3]
InChI: InChI=1S/C23H17N5O10S.C16H11ClN2O2.Cr.2Na/c1-38-16-5-2-13(3-6-16)24-14-4-7-17-12(8-14)9-20(39(35,36)37)21(22(17)29)26-25-18-10-15(27(31)32)11-19(23(18)30)28(33)34;17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;;/h2-11,24,29-30H,1H3,(H,35,36,37);1-9,20-21H;;;/q;;+3;2*+1/p-5