4-[5-[3-羧基-5-羟基-1-(4-磺基苯基)-1H-吡唑-4-基]-2,4-戊二烯亚基]-4,5-二氢-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-羧酸四钾

1H-Pyrazole-3-carboxylic acid, 4-[5-[3-carboxy-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, potassium salt (1:4) · CAS 134863-74-4

中文名: 4-[5-[3-羧基-5-羟基-1-(4-磺基苯基)-1H-吡唑-4-基]-2,4-戊二烯亚基]-4,5-二氢-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-羧酸四钾
中文别名: 暂无
英文名: 1H-Pyrazole-3-carboxylic acid, 4-[5-[3-carboxy-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, potassium salt (1:4)
CAS: 134863-74-4
CID: 177843231
IUPAC 名称: tetrapotassium;(4E)-4-[(2E,4E)-5-[5-carboxylato-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxo-1-(4-sulfonatophenyl)pyrazole-3-carboxylate

名称与编号

中文名: 4-[5-[3-羧基-5-羟基-1-(4-磺基苯基)-1H-吡唑-4-基]-2,4-戊二烯亚基]-4,5-二氢-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-羧酸四钾
中文别名: 暂无
英文名: 1H-Pyrazole-3-carboxylic acid, 4-[5-[3-carboxy-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, potassium salt (1:4)
CAS: 134863-74-4
CID: 177843231
IUPAC 名称: tetrapotassium;(4E)-4-[(2E,4E)-5-[5-carboxylato-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxo-1-(4-sulfonatophenyl)pyrazole-3-carboxylate

分子属性

分子式: C25H14K4N4O12S2
分子量: 782.9 g/mol
精确质量: 781.8597902 Da
单同位素质量: 781.8597902 Da
XLogP: 暂无
极性表面积: 276 Å²
氢键供体: 1
氢键受体: 14
可旋转键: 5
重原子数: 47
净电荷: 0
结构复杂度: 1530

结构标识

InChIKey: WNMBQXFDBVVJIT-LEEXQMNNSA-J
SMILES: C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)[O-])/C=C/C=C/C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[K+].[K+].[K+].[K+]
InChI: InChI=1S/C25H18N4O12S2.4K/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41;;;;/h1-13,26H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41);;;;/q;4*+1/p-4/b3-1+,4-2+,19-5+;;;;