2,2',2'-次氮基三(乙醇)与 3-[[(4-[6-氨基-1-羟基-3-磺基-2-萘基)偶氮]-5-甲氧基-2-甲苯基]偶氮 -1,5-萘二磺酸锂钾钠盐的化合物 (9CI)

Lithium;potassium;sodium;3-[[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate;2-[bis(2-hydroxyethyl)amino]ethanol · CAS 79255-98-4

中文名: 2,2',2'-次氮基三(乙醇)与 3-[[(4-[6-氨基-1-羟基-3-磺基-2-萘基)偶氮]-5-甲氧基-2-甲苯基]偶氮 -1,5-萘二磺酸锂钾钠盐的化合物 (9CI)
中文别名: 暂无
英文名: Lithium;potassium;sodium;3-[[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate;2-[bis(2-hydroxyethyl)amino]ethanol
CAS: 79255-98-4
CID: 136170912
IUPAC 名称: lithium;potassium;sodium;3-[[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate;2-[bis(2-hydroxyethyl)amino]ethanol

名称与编号

中文名: 2,2',2'-次氮基三(乙醇)与 3-[[(4-[6-氨基-1-羟基-3-磺基-2-萘基)偶氮]-5-甲氧基-2-甲苯基]偶氮 -1,5-萘二磺酸锂钾钠盐的化合物 (9CI)
中文别名: 暂无
英文名: Lithium;potassium;sodium;3-[[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate;2-[bis(2-hydroxyethyl)amino]ethanol
CAS: 79255-98-4
CID: 136170912
IUPAC 名称: lithium;potassium;sodium;3-[[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate;2-[bis(2-hydroxyethyl)amino]ethanol

分子属性

分子式: C34H35KLiN6NaO14S3
分子量: 916.9 g/mol
精确质量: 916.10681753 Da
单同位素质量: 916.10681753 Da
XLogP: 暂无
极性表面积: 366 Å²
氢键供体: 5
氢键受体: 20
可旋转键: 11
重原子数: 60
净电荷: 0
结构复杂度: 1510

结构标识

InChIKey: PPHFJELVESALIJ-UHFFFAOYSA-K
SMILES: [Li+].CC1=CC(=C(C=C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])OC)N=NC4=C(C=C5C=C(C=CC5=C4O)N)S(=O)(=O)[O-].C(CO)N(CCO)CCO.[Na+].[K+]
InChI: InChI=1S/C28H23N5O11S3.C6H15NO3.K.Li.Na/c1-14-8-22(32-33-27-26(47(41,42)43)10-15-9-16(29)6-7-18(15)28(27)34)23(44-2)13-21(14)31-30-17-11-20-19(25(12-17)46(38,39)40)4-3-5-24(20)45(35,36)37;8-4-1-7(2-5-9)3-6-10;;;/h3-13,34H,29H2,1-2H3,(H,35,36,37)(H,38,39,40)(H,41,42,43);8-10H,1-6H2;;;/q;;3*+1/p-3