[1-[[2,2'-[(1,4-二氧代-2-丁烯 -1,4-二基)双[(亚氨基(2-磺基-4,1- 亚苯基)-2,1-亚乙基(3-磺基-4,1-亚苯基)(4,5-二氢-3-甲基-5-氧代-1H- 吡唑-4,1-二基)偶氮]]双[5-磺基苯甲酸根]](10-)]]合二铜酸六钠

Cuprate(6-), (mu-((2,2'-((1,4-dioxo-2-butene-1,4-diyl)bis(imino(2-sulfo-4,1-phenylene)-2,1-ethenediyl(3-sulfo-4,1-phenylene)(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)azo))bis(5-sulfobenzoato))(10-)))di-, hexasodium · CAS 71889-03-7

中文名: [1-[[2,2'-[(1,4-二氧代-2-丁烯 -1,4-二基)双[(亚氨基(2-磺基-4,1- 亚苯基)-2,1-亚乙基(3-磺基-4,1-亚苯基)(4,5-二氢-3-甲基-5-氧代-1H- 吡唑-4,1-二基)偶氮]]双[5-磺基苯甲酸根]](10-)]]合二铜酸六钠
中文别名: 暂无
英文名: Cuprate(6-), (mu-((2,2'-((1,4-dioxo-2-butene-1,4-diyl)bis(imino(2-sulfo-4,1-phenylene)-2,1-ethenediyl(3-sulfo-4,1-phenylene)(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)azo))bis(5-sulfobenzoato))(10-)))di-, hexasodium
CAS: 71889-03-7
CID: 133065545
IUPAC 名称: hexasodium;2-[[1-[4-[(E)-2-[4-[[(E)-4-[4-[(E)-2-[4-[4-[(2-carboxy-4-sulfophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]-3-sulfophenyl]ethenyl]-2-sulfoanilino]-4-oxobut-2-enoyl]amino]-3-sulfophenyl]ethenyl]-2-sulfophenyl]-3-methyl-5-oxopyrazol-4-id-4-yl]diazenyl]-5-sulfobenzoic acid;copper

名称与编号

中文名: [1-[[2,2'-[(1,4-二氧代-2-丁烯 -1,4-二基)双[(亚氨基(2-磺基-4,1- 亚苯基)-2,1-亚乙基(3-磺基-4,1-亚苯基)(4,5-二氢-3-甲基-5-氧代-1H- 吡唑-4,1-二基)偶氮]]双[5-磺基苯甲酸根]](10-)]]合二铜酸六钠
中文别名: 暂无
英文名: Cuprate(6-), (mu-((2,2'-((1,4-dioxo-2-butene-1,4-diyl)bis(imino(2-sulfo-4,1-phenylene)-2,1-ethenediyl(3-sulfo-4,1-phenylene)(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)azo))bis(5-sulfobenzoato))(10-)))di-, hexasodium
CAS: 71889-03-7
CID: 133065545
IUPAC 名称: hexasodium;2-[[1-[4-[(E)-2-[4-[[(E)-4-[4-[(E)-2-[4-[4-[(2-carboxy-4-sulfophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]-3-sulfophenyl]ethenyl]-2-sulfoanilino]-4-oxobut-2-enoyl]amino]-3-sulfophenyl]ethenyl]-2-sulfophenyl]-3-methyl-5-oxopyrazol-4-id-4-yl]diazenyl]-5-sulfobenzoic acid;copper

分子属性

分子式: C54H40Cu2N10Na6O26S6+4
分子量: 1702.4 g/mol
精确质量: 1699.841758 Da
单同位素质量: 1699.841758 Da
XLogP: 暂无
极性表面积: 624 Å²
氢键供体: 10
氢键受体: 34
可旋转键: 4
重原子数: 104
净电荷: 4
结构复杂度: 3710

结构标识

InChIKey: MTIWKFINKAMDAZ-MARRRQARSA-N
SMILES: CC1=NN(C(=O)[C-]1N=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)C3=C(C=C(C=C3)/C=C/C4=CC(=C(C=C4)NC(=O)/C=C/C(=O)NC5=C(C=C(C=C5)/C=C/C6=CC(=C(C=C6)N7N=C([C-](C7=O)N=NC8=C(C=C(C=C8)S(=O)(=O)O)C(=O)O)C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu]
InChI: InChI=1S/C54H40N10O26S6.2Cu.6Na/c1-27-49(59-57-37-15-11-33(91(73,74)75)25-35(37)53(69)70)51(67)63(61-27)41-17-9-31(23-45(41)95(85,86)87)5-3-29-7-13-39(43(21-29)93(79,80)81)55-47(65)19-20-48(66)56-40-14-8-30(22-44(40)94(82,83)84)4-6-32-10-18-42(46(24-32)96(88,89)90)64-52(68)50(28(2)62-64)60-58-38-16-12-34(92(76,77)78)26-36(38)54(71)72;;;;;;;;/h3-26H,1-2H3,(H,55,65)(H,56,66)(H,69,70)(H,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90);;;;;;;;/q-2;;;6*+1/b5-3+,6-4+,20-19+,59-57?,60-58?;;;;;;;;