N,N-((1,1-二氧代-3H-2,1-苯并氧硫杂环戊烷-3-亚基)二((6-羟基-4-甲基-3,1-亚苯基)亚甲基))二(N-(羧甲基)-甘氨酸四钠盐
[CAS# 62698-59-3]

基本信息

• 产品名称: N,N-((1,1-二氧代-3H-2,1-苯并氧硫杂环戊烷-3-亚基)二((6-羟基-4-甲基-3,1-亚苯基)亚甲基))二(N-(羧甲基)-甘氨酸四钠盐
• 英文名: N,N-((1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-4-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-Glycine tetrasodium salt
• 别名: Tetrasodium 2-[[5-[3-[5-[[Bis(2-Oxido-2-Oxo-Ethyl)Amino]Methyl]-4-Hydroxy-2-Methyl-Phenyl]-1,1-Dioxo-Benzo[C]Oxathiol-3-Yl]-2-Hydroxy-4-Methyl-Phenyl]Methyl-(2-Oxido-2-Oxo-Ethyl)Amino]Acetate; Tetrasodium 2-[[5-[3-[5-[[Bis(2-Oxido-2-Oxoethyl)Amino]Methyl]-4-Hydroxy-2-Methylphenyl]-1,1-Dioxo-3-Benzo[C]Oxathiolyl]-2-Hydroxy-4-Methylphenyl]Methyl-(2-Oxido-2-Oxoethyl)Amino]Acetate; Tetrasodium 2-[[5-[3-[5-[[Bis(2-Keto-2-Oxido-Ethyl)Amino]Methyl]-4-Hydroxy-2-Methyl-Phenyl]-1,1-Diketo-Benzo[C]Oxathiol-3-Yl]-2-Hydroxy-4-Methyl-Benzyl]-(2-Keto-2-Oxido-Ethyl)Amino]Acetate
• 分子式: C₃₁H₂₈N₂Na₄O₁₃S
• 分子量: 760.59
• CAS 登录号: 62698-59-3
• 分子行输入简码 SMILES: C2=C1C(O[S](=O)(=O)C1=CC=C2)(C3=CC(=C(O)C=C3C)CN(CC([O-])=O)CC([O-])=O)C4=CC(=C(O)C=C4C)CN(CC([O-])=O)CC([O-])=O.[Na+].[Na+].[Na+].[Na+]
• 国际化学标识码 InChI: 1S/C31H32N2O13S.4Na/c1-17-7-24(34)19(11-32(13-27(36)37)14-28(38)39)9-22(17)31(21-5-3-4-6-26(21)47(44,45)46-31)23-10-20(25(35)8-18(23)2)12-33(15-29(40)41)16-30(42)43;;;;/h3-10,34-35H,11-16H2,1-2H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43);;;;/q;4*+1/p-4
• 国际化学标识检索码 InChIKey: CYEFGNIYEPRRPM-UHFFFAOYSA-J

物理化学性质

• 沸点: 908.9°C at 760 mmHg （计算值）
• 闪点: 503.5°C （计算值）