4-氨基-3-[[4-(氨基磺酰基)苯基]偶氮]-6-[[5-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-2-磺酸苯基]偶氮]-5-羟基萘-2,7-二磺酸三钠

CAS号
75199-18-7
CCD编号
CCD08273139
分子式
C26 H15 Cl F2 N9 O12 S4 . 3 Na
分子量
916.138

基本信息

产品名称: 4-氨基-3-[[4-(氨基磺酰基)苯基]偶氮]-6-[[5-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-2-磺酸苯基]偶氮]-5-羟基萘-2,7-二磺酸三钠
CAS: 75199-18-7
中文同义词: 4-氨基-3-[[4-(氨基磺酰基)苯基]偶氮]-6-[[5-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-2-磺酸苯基]偶氮]-5-羟基萘-2,7-二磺酸三钠 ; Ra-反应的因子 P28
英文同义词: TRISODIUM 4-AMINO-3-[[4-(AMINOSULPHONYL)PHENYL]AZO]-6-[[5-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]-2-SULPHONATOPHENYL]AZO]-5-HYDROXYNAPHTHALENE-2,7-DISULPHONATE
MDL号: MFCD23142879
氢键受体数量: 21
氢键供体数量: 4
Smile: c1cc(ccc1/N=N/c2c(cc3cc(c(c(c3c2N)O)/N=N/c4cc(ccc4S(=O)(=O)[O-])Nc5c(c(nc(n5)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)N.[Na+].[Na+].[Na+]
InChi: InChI=1S/C26H18ClF2N9O12S4.3Na/c27-19-24(28)33-26(29)34-25(19)32-12-3-6-15(52(42,43)44)14(9-12)36-38-22-17(54(48,49)50)8-10-7-16(53(45,46)47)21(20(30)18(10)23(22)39)37-35-11-1-4-13(5-2-11)51(31,40)41;;;/h1-9,39H,30H2,(H2,31,40,41)(H,32,33,34)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b37-35+,38-36+;;;
InChiKey: InChIKey=WAADIRALQLGNHV-BOXWNSCSSA-K

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