[3-羧基-1-[4-[[3-[[[(2-羧基-5-磺 苯基)偶氮]苯甲基]偶氮]-2-羟基-5- 磺苯基]氨基]-6-[(2-氯-5-磺苯基)氨 基]-1,3,5-三嗪-2-基]吡啶翁(7-)]合 铜酸三钠氢盐
Cuprate(4-), (3-carboxy-1-(4-((3-(2-((2-(2-(carboxy-kappaO)-5-sulfophenyl)diazenyl-kappaN2)phenylmethyl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-sulfophenyl)amino)-6-((2-chloro-5-sulfophenyl)amino)-1,3,5-triazin-2-yl)pyridiniumato(7-))-, sodium hydrogen (1:3:1) · CAS 89797-01-3
- 中文名
- [3-羧基-1-[4-[[3-[[[(2-羧基-5-磺 苯基)偶氮]苯甲基]偶氮]-2-羟基-5- 磺苯基]氨基]-6-[(2-氯-5-磺苯基)氨 基]-1,3,5-三嗪-2-基]吡啶翁(7-)]合 铜酸三钠氢盐
- 中文别名
- 暂无
- 英文名
- Cuprate(4-), (3-carboxy-1-(4-((3-(2-((2-(2-(carboxy-kappaO)-5-sulfophenyl)diazenyl-kappaN2)phenylmethyl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-sulfophenyl)amino)-6-((2-chloro-5-sulfophenyl)amino)-1,3,5-triazin-2-yl)pyridiniumato(7-))-, sodium hydrogen (1:3:1)
- CAS
- 89797-01-3
- CID
- 136058574
- IUPAC 名称
- trisodium;1-[4-[3-[[[(2-carboxy-5-sulfophenyl)diazenyl]-phenylmethyl]diazenyl]-2-hydroxy-5-sulfoanilino]-6-(2-chloro-5-sulfoanilino)-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid;copper;hydron
名称与编号
- 中文名
- [3-羧基-1-[4-[[3-[[[(2-羧基-5-磺 苯基)偶氮]苯甲基]偶氮]-2-羟基-5- 磺苯基]氨基]-6-[(2-氯-5-磺苯基)氨 基]-1,3,5-三嗪-2-基]吡啶翁(7-)]合 铜酸三钠氢盐
- 中文别名
- 暂无
- 英文名
- Cuprate(4-), (3-carboxy-1-(4-((3-(2-((2-(2-(carboxy-kappaO)-5-sulfophenyl)diazenyl-kappaN2)phenylmethyl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-sulfophenyl)amino)-6-((2-chloro-5-sulfophenyl)amino)-1,3,5-triazin-2-yl)pyridiniumato(7-))-, sodium hydrogen (1:3:1)
- CAS
- 89797-01-3
- CID
- 136058574
- IUPAC 名称
- trisodium;1-[4-[3-[[[(2-carboxy-5-sulfophenyl)diazenyl]-phenylmethyl]diazenyl]-2-hydroxy-5-sulfoanilino]-6-(2-chloro-5-sulfoanilino)-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid;copper;hydron
分子属性
- 分子式
- C35H27ClCuN10Na3O14S3+5
- 分子量
- 1075.8 g/mol
- 精确质量
- 1073.954792 Da
- 单同位素质量
- 1073.954792 Da
- XLogP
- 暂无
- 极性表面积
- 399 Ų
- 氢键供体
- 9
- 氢键受体
- 23
- 可旋转键
- 1
- 重原子数
- 67
- 净电荷
- 5
- 结构复杂度
- 1990
结构标识
- InChIKey
- USOYIBVBPBMHJH-UHFFFAOYSA-P
- SMILES
- [H+].C1=CC=C(C=C1)C(N=NC2=CC(=CC(=C2O)NC3=NC(=NC(=N3)NC4=C(C=CC(=C4)S(=O)(=O)O)Cl)[N+]5=CC=CC(=C5)C(=O)O)S(=O)(=O)O)N=NC6=C(C=CC(=C6)S(=O)(=O)O)C(=O)O.[Na+].[Na+].[Na+].[Cu]
- InChI
- InChI=1S/C35H25ClN10O14S3.Cu.3Na/c36-24-11-9-21(62(55,56)57)14-26(24)37-33-39-34(41-35(40-33)46-12-4-7-19(17-46)31(48)49)38-27-15-22(63(58,59)60)16-28(29(27)47)43-45-30(18-5-2-1-3-6-18)44-42-25-13-20(61(52,53)54)8-10-23(25)32(50)51;;;;/h1-17,30H,(H7-,37,38,39,40,41,42,43,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60);;;;/q;;3*+1/p+2