4,4'-[1,4-亚苯基双[亚氨基(6-氯代 -1,3,5-三嗪-4,2-二基)亚氨基]]双 [5-羟基-6-[(4-甲氧基-3-磺苯基)偶 氮基]]-2,7-萘二磺酸钾钠
2,7-Naphthalenedisulfonic acid, 4,4a(2)-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(4-methoxy-3-sulfophenyl)azo]-, potassium sodium salt · CAS 85959-06-4
- 中文名
- 4,4'-[1,4-亚苯基双[亚氨基(6-氯代 -1,3,5-三嗪-4,2-二基)亚氨基]]双 [5-羟基-6-[(4-甲氧基-3-磺苯基)偶 氮基]]-2,7-萘二磺酸钾钠
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 4,4a(2)-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(4-methoxy-3-sulfophenyl)azo]-, potassium sodium salt
- CAS
- 85959-06-4
- CID
- 177845324
- IUPAC 名称
- potassium;sodium;5-[[8-[[4-chloro-6-[4-[[4-chloro-6-[[8-hydroxy-7-[(4-methoxy-3-sulfonatophenyl)diazenyl]-3,6-disulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]-2-methoxybenzenesulfonate
名称与编号
- 中文名
- 4,4'-[1,4-亚苯基双[亚氨基(6-氯代 -1,3,5-三嗪-4,2-二基)亚氨基]]双 [5-羟基-6-[(4-甲氧基-3-磺苯基)偶 氮基]]-2,7-萘二磺酸钾钠
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 4,4a(2)-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(4-methoxy-3-sulfophenyl)azo]-, potassium sodium salt
- CAS
- 85959-06-4
- CID
- 177845324
- IUPAC 名称
- potassium;sodium;5-[[8-[[4-chloro-6-[4-[[4-chloro-6-[[8-hydroxy-7-[(4-methoxy-3-sulfonatophenyl)diazenyl]-3,6-disulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]-2-methoxybenzenesulfonate
分子属性
- 分子式
- C46H32Cl2KN14NaO22S6
- 分子量
- 1458.2 g/mol
- 精确质量
- 1455.9051669 Da
- 单同位素质量
- 1455.9051669 Da
- XLogP
- 暂无
- 极性表面积
- 616 Ų
- 氢键供体
- 10
- 氢键受体
- 36
- 可旋转键
- 18
- 重原子数
- 92
- 净电荷
- 0
- 结构复杂度
- 2990
结构标识
- InChIKey
- BEMVKWCBXOLROA-UHFFFAOYSA-L
- SMILES
- COC1=C(C=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)NC6=NC(=NC(=N6)Cl)NC7=C8C(=CC(=C7)S(=O)(=O)O)C=C(C(=C8O)N=NC9=CC(=C(C=C9)OC)S(=O)(=O)[O-])S(=O)(=O)O)Cl)O)S(=O)(=O)[O-].[Na+].[K+]
- InChI
- InChI=1S/C46H34Cl2N14O22S6.K.Na/c1-83-29-9-7-23(15-31(29)87(71,72)73)59-61-37-33(89(77,78)79)13-19-11-25(85(65,66)67)17-27(35(19)39(37)63)51-45-55-41(47)53-43(57-45)49-21-3-5-22(6-4-21)50-44-54-42(48)56-46(58-44)52-28-18-26(86(68,69)70)12-20-14-34(90(80,81)82)38(40(64)36(20)28)62-60-24-8-10-30(84-2)32(16-24)88(74,75)76;;/h3-18,63-64H,1-2H3,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H2,49,51,53,55,57)(H2,50,52,54,56,58);;/q;2*+1/p-2