[5-[(4,5-二氢-3-甲基-5-氧代-1-苯基-1H-吡唑-4-基)偶氮]-4-羟基 -3-[(2-羟基-3-硝基-5-磺苯基)偶氮]-2,7-萘二磺酸合(5-)]镍酸(3-)三钠

Trisodium [5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]naphthalene-2,7-disulphonato(5-)]nickelate(3-) · CAS 79817-91-7

中文名: [5-[(4,5-二氢-3-甲基-5-氧代-1-苯基-1H-吡唑-4-基)偶氮]-4-羟基 -3-[(2-羟基-3-硝基-5-磺苯基)偶氮]-2,7-萘二磺酸合(5-)]镍酸(3-)三钠
中文别名: 暂无
英文名: Trisodium [5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]naphthalene-2,7-disulphonato(5-)]nickelate(3-)
CAS: 79817-91-7
CID: 91808986
IUPAC 名称: trisodium;4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]naphthalene-2,7-disulfonic acid;nickel

名称与编号

中文名: [5-[(4,5-二氢-3-甲基-5-氧代-1-苯基-1H-吡唑-4-基)偶氮]-4-羟基 -3-[(2-羟基-3-硝基-5-磺苯基)偶氮]-2,7-萘二磺酸合(5-)]镍酸(3-)三钠
中文别名: 暂无
英文名: Trisodium [5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]naphthalene-2,7-disulphonato(5-)]nickelate(3-)
CAS: 79817-91-7
CID: 91808986
IUPAC 名称: trisodium;4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]naphthalene-2,7-disulfonic acid;nickel

分子属性

分子式: C26H18N7Na3NiO14S3+2
分子量: 876.3 g/mol
精确质量: 874.912036 Da
单同位素质量: 874.912036 Da
XLogP: 暂无
极性表面积: 357 Å²
氢键供体: 5
氢键受体: 20
可旋转键: 1
重原子数: 54
净电荷: 2
结构复杂度: 1740

结构标识

InChIKey: KDURWYZPLMZMON-UHFFFAOYSA-N
SMILES: CC1=NN(C(=O)[C-]1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C(=CC(=C4)S(=O)(=O)O)[N+](=O)[O-])O)S(=O)(=O)O)C5=CC=CC=C5.[Na+].[Na+].[Na+].[Ni]
InChI: InChI=1S/C26H18N7O14S3.3Na.Ni/c1-12-22(26(36)32(31-12)14-5-3-2-4-6-14)29-27-17-9-15(48(39,40)41)7-13-8-20(50(45,46)47)23(25(35)21(13)17)30-28-18-10-16(49(42,43)44)11-19(24(18)34)33(37)38;;;;/h2-11,34-35H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q-1;3*+1;