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
[CAS# 125617-94-9]

Identification

• Name: 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
• Synonyms: 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
• Molecular Formula: C₃₈H₃₆F₃NaO₈S
• Molecular Weight: 732.74
• CAS Registry Number: 125617-94-9
• 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+]
• 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
• InChIKey: UVMDAJYLEKEIPJ-RWRWEHELSA-M

Properties

• Boiling point: 820.9°C at 760 mmHg (Cal.)
• Flash point: 450.3°C (Cal.)