2-(4-氨基甲亚胺酰基苯基)-1-苯并呋喃-5-碳杂氧杂脒

CAS号
28706-33-4
CCD编号
CCD08275980
分子式
C35 H24 N6 O15 S4 . 4 Na
分子量
988.826

基本信息

产品名称: 2-(4-氨基甲亚胺酰基苯基)-1-苯并呋喃-5-碳杂氧杂脒
CAS: 28706-33-4
中文同义词: 2-(4-氨基甲亚胺酰基苯基)-1-苯并呋喃-5-碳杂氧杂脒
英文同义词: TETRASODIUM 7,7'-(CARBONYLDIIMINO)BIS[4-HYDROXY-3-[(2-METHYL-4-SULPHONATOPHENYL)AZO]NAPHTHALENE-2-SULPHONATE]
MDL号: MFCD23160479
氢键受体数量: 21
氢键供体数量: 4
Smile: Cc1cc(ccc1/N=N/c2c(cc3cc(ccc3c2O)NC(=O)Nc4ccc5c(c4)cc(c(c5O)/N=N/c6ccc(cc6C)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C35H28N6O15S4.4Na/c1-17-11-23(57(45,46)47)5-9-27(17)38-40-31-29(59(51,52)53)15-19-13-21(3-7-25(19)33(31)42)36-35(44)37-22-4-8-26-20(14-22)16-30(60(54,55)56)32(34(26)43)41-39-28-10-6-24(12-18(28)2)58(48,49)50;;;;/h3-16,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4/b40-38+,41-39+;;;;
InChiKey: InChIKey=RLFHKVCTLYWSBM-RRJGSHPESA-J

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