2-[[4-氟-6-[甲基[2-[[2-(磺酰氧基) 乙基]磺酰基]乙基]氨基]-1,3,5-三嗪 -2-基]氨基]-5-羟基-6-[(4-甲基-2- 磺基苯基)偶氮]-1,7-萘二磺酸四钠盐 (9CI)

Tetrasodium 2-(4-fluoro-6-(methyl-(2-(sulfatoethylsulfonyl)ethyl)amino)-1,3,5-triazin-2-ylamino)-5-hydroxy-6-(4-methyl-2-sulfonatophenylazo)naphthalene-1,7-disulfonate · CAS 243858-01-7

中文名: 2-[[4-氟-6-[甲基[2-[[2-(磺酰氧基) 乙基]磺酰基]乙基]氨基]-1,3,5-三嗪 -2-基]氨基]-5-羟基-6-[(4-甲基-2- 磺基苯基)偶氮]-1,7-萘二磺酸四钠盐 (9CI)
中文别名: 暂无
英文名: Tetrasodium 2-(4-fluoro-6-(methyl-(2-(sulfatoethylsulfonyl)ethyl)amino)-1,3,5-triazin-2-ylamino)-5-hydroxy-6-(4-methyl-2-sulfonatophenylazo)naphthalene-1,7-disulfonate
CAS: 243858-01-7
CID: 139594244
IUPAC 名称: tetrasodium;2-[[4-fluoro-6-[methyl-[2-(2-sulfonatooxyethylsulfonyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate

名称与编号

中文名: 2-[[4-氟-6-[甲基[2-[[2-(磺酰氧基) 乙基]磺酰基]乙基]氨基]-1,3,5-三嗪 -2-基]氨基]-5-羟基-6-[(4-甲基-2- 磺基苯基)偶氮]-1,7-萘二磺酸四钠盐 (9CI)
中文别名: 暂无
英文名: Tetrasodium 2-(4-fluoro-6-(methyl-(2-(sulfatoethylsulfonyl)ethyl)amino)-1,3,5-triazin-2-ylamino)-5-hydroxy-6-(4-methyl-2-sulfonatophenylazo)naphthalene-1,7-disulfonate
CAS: 243858-01-7
CID: 139594244
IUPAC 名称: tetrasodium;2-[[4-fluoro-6-[methyl-[2-(2-sulfonatooxyethylsulfonyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate

分子属性

分子式: C25H22FN7Na4O16S5
分子量: 947.8 g/mol
精确质量: 946.9301388 Da
单同位素质量: 946.9301388 Da
XLogP: 暂无
极性表面积: 413 Å²
氢键供体: 2
氢键受体: 24
可旋转键: 11
重原子数: 58
净电荷: 0
结构复杂度: 1830

结构标识

InChIKey: AUZYOFLEZCTGGW-UHFFFAOYSA-J
SMILES: CC1=CC(=C(C=C1)N=NC2=C(C=C3C(=C2O)C=CC(=C3S(=O)(=O)[O-])NC4=NC(=NC(=N4)F)N(C)CCS(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C25H26FN7O16S5.4Na/c1-13-3-5-16(18(11-13)51(37,38)39)31-32-20-19(52(40,41)42)12-15-14(21(20)34)4-6-17(22(15)53(43,44)45)27-24-28-23(26)29-25(30-24)33(2)7-9-50(35,36)10-8-49-54(46,47)48;;;;/h3-6,11-12,34H,7-10H2,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,27,28,29,30);;;;/q;4*+1/p-4