[2,4-二氢-4-[(2-羟基-5-甲基-3-硝 基苯基)偶氮]-5-甲基-2-苯基-3H-吡 唑-3-酮酸根(2-)][3-[4-[[5-(2,2-二 甲基丙基)-2-羟基-3-硝基苯基]偶 氮]-4,5-二氢-3-甲基-5-氧代-1H-吡 唑-1-基]苯磺酰胺合(2-)]铬酸(1-)氢 盐
Chromate(1-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-5-methyl-3-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(3-(4-((5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)azo-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))-, hydrogen · CAS 72928-87-1
- 中文名
- [2,4-二氢-4-[(2-羟基-5-甲基-3-硝 基苯基)偶氮]-5-甲基-2-苯基-3H-吡 唑-3-酮酸根(2-)][3-[4-[[5-(2,2-二 甲基丙基)-2-羟基-3-硝基苯基]偶 氮]-4,5-二氢-3-甲基-5-氧代-1H-吡 唑-1-基]苯磺酰胺合(2-)]铬酸(1-)氢 盐
- 中文别名
- 暂无
- 英文名
- Chromate(1-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-5-methyl-3-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(3-(4-((5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)azo-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))-, hydrogen
- CAS
- 72928-87-1
- CID
- 175321
- IUPAC 名称
- chromium(3+);4-[[5-(2,2-dimethylpropyl)-3-nitro-2-oxidophenyl]diazenyl]-3-methyl-1-(3-sulfamoylphenyl)pyrazol-5-olate;4-[[5-(dioxidoamino)-3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;hydron
名称与编号
- 中文名
- [2,4-二氢-4-[(2-羟基-5-甲基-3-硝 基苯基)偶氮]-5-甲基-2-苯基-3H-吡 唑-3-酮酸根(2-)][3-[4-[[5-(2,2-二 甲基丙基)-2-羟基-3-硝基苯基]偶 氮]-4,5-二氢-3-甲基-5-氧代-1H-吡 唑-1-基]苯磺酰胺合(2-)]铬酸(1-)氢 盐
- 中文别名
- 暂无
- 英文名
- Chromate(1-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-5-methyl-3-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(3-(4-((5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)azo-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))-, hydrogen
- CAS
- 72928-87-1
- CID
- 175321
- IUPAC 名称
- chromium(3+);4-[[5-(2,2-dimethylpropyl)-3-nitro-2-oxidophenyl]diazenyl]-3-methyl-1-(3-sulfamoylphenyl)pyrazol-5-olate;4-[[5-(dioxidoamino)-3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;hydron
分子属性
- 分子式
- C38H36CrN11O10S
- 分子量
- 890.8 g/mol
- 精确质量
- 890.177237 Da
- 单同位素质量
- 890.177237 Da
- XLogP
- 暂无
- 极性表面积
- 327 Ų
- 氢键供体
- 2
- 氢键受体
- 18
- 可旋转键
- 8
- 重原子数
- 61
- 净电荷
- 0
- 结构复杂度
- 1640
结构标识
- InChIKey
- SEXCQNFVDAYOSL-UHFFFAOYSA-M
- SMILES
- [H+].CC1=CC(=NN=C2C(=NN(C2=O)C3=CC=CC=C3)C)C(=O)C(=C1)N([O-])[O-].CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)CC(C)(C)C)[N+](=O)[O-])[O-])[O-])C3=CC(=CC=C3)S(=O)(=O)N.[Cr+3]
- InChI
- InChI=1S/C21H24N6O6S.C17H13N5O4.Cr/c1-12-18(20(29)26(25-12)14-6-5-7-15(10-14)34(22,32)33)24-23-16-8-13(11-21(2,3)4)9-17(19(16)28)27(30)31;1-10-8-13(16(23)14(9-10)22(25)26)18-19-15-11(2)20-21(17(15)24)12-6-4-3-5-7-12;/h5-10,28-29H,11H2,1-4H3,(H2,22,32,33);3-9H,1-2H3;/q;-2;+3/p-1