2-[[6-[[4-氯-6-[4-[2-[[4-氯 -6-[[8-羟基-3,6-二磺基-7-[(2-磺基 苯基)偶氮]-1-萘基]氨基]-1,3,5-三 嗪-2-基]氨基]乙基]-1-哌嗪 基]-1,3,5-三嗪-2-基]氨基]-1-羟基 -3-磺基-2-萘基]偶氮]-1,5-萘二磺酸 钠盐(9CI)
Disodium;2-[[6-[[4-chloro-6-[4-[2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfonatophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]ethyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-sulfonaphthalene-1-sulfonate · CAS 396083-76-4
- 中文名
- 2-[[6-[[4-氯-6-[4-[2-[[4-氯 -6-[[8-羟基-3,6-二磺基-7-[(2-磺基 苯基)偶氮]-1-萘基]氨基]-1,3,5-三 嗪-2-基]氨基]乙基]-1-哌嗪 基]-1,3,5-三嗪-2-基]氨基]-1-羟基 -3-磺基-2-萘基]偶氮]-1,5-萘二磺酸 钠盐(9CI)
- 中文别名
- 暂无
- 英文名
- Disodium;2-[[6-[[4-chloro-6-[4-[2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfonatophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]ethyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-sulfonaphthalene-1-sulfonate
- CAS
- 396083-76-4
- CID
- 177841819
- IUPAC 名称
- disodium;2-[[6-[[4-chloro-6-[4-[2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfonatophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]ethyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-sulfonaphthalene-1-sulfonate
名称与编号
- 中文名
- 2-[[6-[[4-氯-6-[4-[2-[[4-氯 -6-[[8-羟基-3,6-二磺基-7-[(2-磺基 苯基)偶氮]-1-萘基]氨基]-1,3,5-三 嗪-2-基]氨基]乙基]-1-哌嗪 基]-1,3,5-三嗪-2-基]氨基]-1-羟基 -3-磺基-2-萘基]偶氮]-1,5-萘二磺酸 钠盐(9CI)
- 中文别名
- 暂无
- 英文名
- Disodium;2-[[6-[[4-chloro-6-[4-[2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfonatophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]ethyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-sulfonaphthalene-1-sulfonate
- CAS
- 396083-76-4
- CID
- 177841819
- IUPAC 名称
- disodium;2-[[6-[[4-chloro-6-[4-[2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfonatophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]ethyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-sulfonaphthalene-1-sulfonate
分子属性
- 分子式
- C48H37Cl2N15Na2O20S6
- 分子量
- 1453.2 g/mol
- 精确质量
- 1450.9835996 Da
- 单同位素质量
- 1450.9835996 Da
- XLogP
- 暂无
- 极性表面积
- 592 Ų
- 氢键供体
- 9
- 氢键受体
- 35
- 可旋转键
- 17
- 重原子数
- 93
- 净电荷
- 0
- 结构复杂度
- 3260
结构标识
- InChIKey
- NYIOVBSPAVBZOX-UHFFFAOYSA-L
- SMILES
- C1CN(CCN1CCNC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=CC=CC=C5S(=O)(=O)[O-])S(=O)(=O)O)C6=NC(=NC(=N6)NC7=CC8=CC(=C(C(=C8C=C7)O)N=NC9=C(C1=C(C=C9)C(=CC=C1)S(=O)(=O)O)S(=O)(=O)[O-])S(=O)(=O)O)Cl.[Na+].[Na+]
- InChI
- InChI=1S/C48H39Cl2N15O20S6.2Na/c49-43-54-45(58-47(55-43)53-32-22-26(86(68,69)70)19-24-21-36(90(80,81)82)39(41(67)37(24)32)63-60-30-5-1-2-6-34(30)88(74,75)76)51-12-13-64-14-16-65(17-15-64)48-57-44(50)56-46(59-48)52-25-8-9-27-23(18-25)20-35(89(77,78)79)38(40(27)66)62-61-31-11-10-28-29(42(31)91(83,84)85)4-3-7-33(28)87(71,72)73;;/h1-11,18-22,66-67H,12-17H2,(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,52,56,57,59)(H2,51,53,54,55,58);;/q;2*+1/p-2