7-[(1R,2S,3E,5Z)-10-(4-乙酰基-3-羟基-2-丙基苯氧基)-1-羟基-1-[3-(三氟甲基)苯基]癸-3,5-二烯-2-基]硫基-4-氧代苯并吡喃-2-羧酸钠
[CAS# 125617-94-9]

基本信息

• 产品名称: 7-[(1R,2S,3E,5Z)-10-(4-乙酰基-3-羟基-2-丙基苯氧基)-1-羟基-1-[3-(三氟甲基)苯基]癸-3,5-二烯-2-基]硫基-4-氧代苯并吡喃-2-羧酸钠
• 英文名: Sodium 7-[(1R,2S,3E,5Z)-10-(4-Acetyl-3-Hydroxy-2-Propylphenoxy)-1-Hydroxy-1-[3-(Trifluoromethyl)Phenyl]Deca-3,5-Dien-2-Yl]Sulfanyl-4-Oxochromene-2-Carboxylate
• 别名: Sodium 7-[(1S,2E,4Z)-9-(4-Acetyl-3-Hydroxy-2-Propyl-Phenoxy)-1-[(R)-Hydroxy-[3-(Trifluoromethyl)Phenyl]Methyl]Nona-2,4-Dienyl]Sulfanyl-4-Oxo-Chromene-2-Carboxylate; Sodium 7-[[(1S,2E,4Z)-9-(4-Acetyl-3-Hydroxy-2-Propylphenoxy)-1-[(R)-Hydroxy-[3-(Trifluoromethyl)Phenyl]Methyl]Nona-2,4-Dienyl]Thio]-4-Oxo-2-Chromenecarboxylate; Sodium 7-[[(1S,2E,4Z)-9-(4-Acetyl-3-Hydroxy-2-Propyl-Phenoxy)-1-[(R)-Hydroxy-[3-(Trifluoromethyl)Phenyl]Methyl]Nona-2,4-Dienyl]Thio]-4-Keto-Chromene-2-Carboxylate
• 分子式: C₃₈H₃₆F₃NaO₈S
• 分子量: 732.74
• CAS 登录号: 125617-94-9
• 分子行输入简码 SMILES: [C@@H](SC2=CC1=C(C(=O)C=C(O1)C([O-])=O)C=C2)([C@H](O)C3=CC=CC(=C3)C(F)(F)F)\C=C\C=C/CCCCOC4=CC=C(C(=C4CCC)O)C(=O)C.[Na+]
• 国际化学标识码 InChI: 1S/C38H37F3O8S.Na/c1-3-11-29-31(18-17-27(23(2)42)36(29)45)48-19-9-7-5-4-6-8-14-34(35(44)24-12-10-13-25(20-24)38(39,40)41)50-26-15-16-28-30(43)22-33(37(46)47)49-32(28)21-26;/h4,6,8,10,12-18,20-22,34-35,44-45H,3,5,7,9,11,19H2,1-2H3,(H,46,47);/q;+1/p-1/b6-4-,14-8+;/t34-,35+;/m0./s1
• 国际化学标识检索码 InChIKey: UVMDAJYLEKEIPJ-RWRWEHELSA-M

物理化学性质

• 沸点: 820.9°C at 760 mmHg （计算值）
• 闪点: 450.3°C （计算值）