五氢化[6-乙酰氨基-4-羟-3-[(2-羟 -5-硝基-3-磺苯基)偶氮]-2-萘磺酰 (4-)][4-羟基-6-[(2-羟基-5-甲基苯基)偶氮]-3-[(2-羟-5-硝基-3-磺苯基)偶氮]-2-萘磺酸基合(4-)]铬酸 (5-)

Chromate(5-), (6-(acetylamino)-4-hydroxy-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-2-naphthalenesulfonato(4-))(4-hydroxy-6-((2-hydroxy-5-methylphenyl)azo)-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-2-naphthalenesulfonato(4-))-, pentahydrogen · CAS 68912-09-4

中文名: 五氢化[6-乙酰氨基-4-羟-3-[(2-羟 -5-硝基-3-磺苯基)偶氮]-2-萘磺酰 (4-)][4-羟基-6-[(2-羟基-5-甲基苯基)偶氮]-3-[(2-羟-5-硝基-3-磺苯基)偶氮]-2-萘磺酸基合(4-)]铬酸 (5-)
中文别名: 暂无
英文名: Chromate(5-), (6-(acetylamino)-4-hydroxy-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-2-naphthalenesulfonato(4-))(4-hydroxy-6-((2-hydroxy-5-methylphenyl)azo)-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-2-naphthalenesulfonato(4-))-, pentahydrogen
CAS: 68912-09-4
CID: 136033655
IUPAC 名称: 6-acetamido-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium;hydron;4-hydroxy-6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

名称与编号

中文名: 五氢化[6-乙酰氨基-4-羟-3-[(2-羟 -5-硝基-3-磺苯基)偶氮]-2-萘磺酰 (4-)][4-羟基-6-[(2-羟基-5-甲基苯基)偶氮]-3-[(2-羟-5-硝基-3-磺苯基)偶氮]-2-萘磺酸基合(4-)]铬酸 (5-)
中文别名: 暂无
英文名: Chromate(5-), (6-(acetylamino)-4-hydroxy-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-2-naphthalenesulfonato(4-))(4-hydroxy-6-((2-hydroxy-5-methylphenyl)azo)-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-2-naphthalenesulfonato(4-))-, pentahydrogen
CAS: 68912-09-4
CID: 136033655
IUPAC 名称: 6-acetamido-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium;hydron;4-hydroxy-6-[(2-hydroxy-5-methylphenyl)diazenyl]-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

分子属性

分子式: C41H36CrN9O22S4+5
分子量: 1187 g/mol
精确质量: 1186.026278 Da
单同位素质量: 1186.026278 Da
XLogP: 暂无
极性表面积: 547 Å²
氢键供体: 15
氢键受体: 28
可旋转键: 1
重原子数: 77
净电荷: 5
结构复杂度: 2630

结构标识

InChIKey: LADYKVXYLVKKPI-UHFFFAOYSA-S
SMILES: [H+].[H+].[H+].[H+].[H+].CC1=CC(=C(C=C1)O)N=NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)O)N=NC4=C(C(=CC(=C4)[N+](=O)[O-])S(=O)(=O)O)O)O.CC(=O)NC1=CC2=C(C(=C(C=C2C=C1)S(=O)(=O)O)N=NC3=C(C(=CC(=C3)[N+](=O)[O-])S(=O)(=O)O)O)O.[Cr]
InChI: InChI=1S/C23H17N5O11S2.C18H14N4O11S2.Cr/c1-11-2-5-18(29)16(6-11)25-24-13-4-3-12-7-19(40(34,35)36)21(22(30)15(12)8-13)27-26-17-9-14(28(32)33)10-20(23(17)31)41(37,38)39;1-8(23)19-10-3-2-9-4-14(34(28,29)30)16(17(24)12(9)5-10)21-20-13-6-11(22(26)27)7-15(18(13)25)35(31,32)33;/h2-10,29-31H,1H3,(H,34,35,36)(H,37,38,39);2-7,24-25H,1H3,(H,19,23)(H,28,29,30)(H,31,32,33);/p+5