对[[1-羟基-6-[5-羟基-7-磺基-6-[(4-磺基-邻甲苯基)偶氮]-2-萘基]氨基]羰基]氨基]-3-磺基-2-萘基]偶氮]苯甲酸钠盐与2-氨基乙醇的化合物

p-((1-Hydroxy-6-((((5-hydroxy-7-sulpho-6-((4-sulpho-o-tolyl)azo)-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)benzoic acid, sodium salt, compound with 2-aminoethanol · CAS 94109-30-5

中文名: 对[[1-羟基-6-[5-羟基-7-磺基-6-[(4-磺基-邻甲苯基)偶氮]-2-萘基]氨基]羰基]氨基]-3-磺基-2-萘基]偶氮]苯甲酸钠盐与2-氨基乙醇的化合物
中文别名: 暂无
英文名: p-((1-Hydroxy-6-((((5-hydroxy-7-sulpho-6-((4-sulpho-o-tolyl)azo)-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)benzoic acid, sodium salt, compound with 2-aminoethanol
CAS: 94109-30-5
CID: 136086327
IUPAC 名称: tetrasodium;2-aminoethanol;4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate

名称与编号

中文名: 对[[1-羟基-6-[5-羟基-7-磺基-6-[(4-磺基-邻甲苯基)偶氮]-2-萘基]氨基]羰基]氨基]-3-磺基-2-萘基]偶氮]苯甲酸钠盐与2-氨基乙醇的化合物
中文别名: 暂无
英文名: p-((1-Hydroxy-6-((((5-hydroxy-7-sulpho-6-((4-sulpho-o-tolyl)azo)-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)benzoic acid, sodium salt, compound with 2-aminoethanol
CAS: 94109-30-5
CID: 136086327
IUPAC 名称: tetrasodium;2-aminoethanol;4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate

分子属性

分子式: C37H29N7Na4O15S3
分子量: 999.8 g/mol
精确质量: 999.0474539 Da
单同位素质量: 999.0474539 Da
XLogP: 暂无
极性表面积: 414 Å²
氢键供体: 6
氢键受体: 20
可旋转键: 7
重原子数: 66
净电荷: 0
结构复杂度: 1840

结构标识

InChIKey: NOPMGPXYHUCCSV-UHFFFAOYSA-J
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=C(C=C6)C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)N.[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C35H26N6O14S3.C2H7NO.4Na/c1-17-12-24(56(47,48)49)8-11-27(17)39-41-31-29(58(53,54)55)16-20-14-23(7-10-26(20)33(31)43)37-35(46)36-22-6-9-25-19(13-22)15-28(57(50,51)52)30(32(25)42)40-38-21-4-2-18(3-5-21)34(44)45;3-1-2-4;;;;/h2-16,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);4H,1-3H2;;;;/q;;4*+1/p-4