α-[2-[3,6-二(二乙氨基)占吨翁-9- 基]苯甲酰基]-ω-羟基-[2,4-二氢 -4-[(2-羟基-5-硝基苯基)偶氮]-5-甲基-2-苯基-3H-吡唑-3-聚(氧-1,2-乙二基)氧根合(2-)]-[2-[(4,5-二氢-3- 甲基-5-氧代-1-苯基-1H-吡唑-4-基) 偶氮]苯甲酸根合(2-)]铬酸盐(1-)

Chromium(3+);[6-(diethylamino)-9-[2-(2-hydroxyethoxycarbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate;2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate · CAS 103671-34-7

中文名: α-[2-[3,6-二(二乙氨基)占吨翁-9- 基]苯甲酰基]-ω-羟基-[2,4-二氢 -4-[(2-羟基-5-硝基苯基)偶氮]-5-甲基-2-苯基-3H-吡唑-3-聚(氧-1,2-乙二基)氧根合(2-)]-[2-[(4,5-二氢-3- 甲基-5-氧代-1-苯基-1H-吡唑-4-基) 偶氮]苯甲酸根合(2-)]铬酸盐(1-)
中文别名: 暂无
英文名: Chromium(3+);[6-(diethylamino)-9-[2-(2-hydroxyethoxycarbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate;2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate
CAS: 103671-34-7
CID: 11988105
IUPAC 名称: chromium(3+);[6-(diethylamino)-9-[2-(2-hydroxyethoxycarbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate;2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate

名称与编号

中文名: α-[2-[3,6-二(二乙氨基)占吨翁-9- 基]苯甲酰基]-ω-羟基-[2,4-二氢 -4-[(2-羟基-5-硝基苯基)偶氮]-5-甲基-2-苯基-3H-吡唑-3-聚(氧-1,2-乙二基)氧根合(2-)]-[2-[(4,5-二氢-3- 甲基-5-氧代-1-苯基-1H-吡唑-4-基) 偶氮]苯甲酸根合(2-)]铬酸盐(1-)
中文别名: 暂无
英文名: Chromium(3+);[6-(diethylamino)-9-[2-(2-hydroxyethoxycarbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate;2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate
CAS: 103671-34-7
CID: 11988105
IUPAC 名称: chromium(3+);[6-(diethylamino)-9-[2-(2-hydroxyethoxycarbonyl)phenyl]xanthen-3-ylidene]-diethylazanium;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate;2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate

分子属性

分子式: C63H58CrN11O11
分子量: 1197.2 g/mol
精确质量: 1196.372231 Da
单同位素质量: 1196.372231 Da
XLogP: 暂无
极性表面积: 302 Å²
氢键供体: 1
氢键受体: 18
可旋转键: 16
重原子数: 86
净电荷: 0
结构复杂度: 1810

结构标识

InChIKey: LNGOPCAEJLRRTD-UHFFFAOYSA-J
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OCCO.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.[Cr+3]
InChI: InChI=1S/C30H35N2O4.C17H14N4O3.C16H13N5O4.Cr/c1-5-31(6-2)21-13-15-25-27(19-21)36-28-20-22(32(7-3)8-4)14-16-26(28)29(25)23-11-9-10-12-24(23)30(34)35-18-17-33;1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;/h9-16,19-20,33H,5-8,17-18H2,1-4H3;2-10,22H,1H3,(H,23,24);2-9,22-23H,1H3;/q+1;;;+3/p-4