7-[(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-Carboxylic Acid
[CAS# 151581-24-7]

Identification

• Name: 7-[(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-Carboxylic Acid
• Synonyms: 7-[(1S,2E,4Z)-9-(4-Acetyl-3-Hydroxy-2-Propyl-Phenoxy)-1-[Hydroxy-[3-(Trifluoromethyl)Phenyl]Methyl]Nona-2,4-Dienyl]Sulfanyl-4-Oxo-Chromene-2-Carboxylic Acid; 7-[[(1S,2E,4Z)-9-(4-Acetyl-3-Hydroxy-2-Propylphenoxy)-1-[Hydroxy-[3-(Trifluoromethyl)Phenyl]Methyl]Nona-2,4-Dienyl]Thio]-4-Oxo-2-Chromenecarboxylic Acid; 7-[[(1S,2E,4Z)-9-(4-Acetyl-3-Hydroxy-2-Propyl-Phenoxy)-1-[Hydroxy-[3-(Trifluoromethyl)Phenyl]Methyl]Nona-2,4-Dienyl]Thio]-4-Keto-Chromene-2-Carboxylic Acid
• Molecular Formula: C₃₈H₃₇F₃O₈S
• Molecular Weight: 710.76
• CAS Registry Number: 151581-24-7
• SMILES: [C@H](SC2=CC=C1C(C=C(OC1=C2)C(=O)O)=O)(\C=C\C=C/CCCCOC3=CC=C(C(=C3CCC)O)C(=O)C)C(C4=CC=CC(=C4)C(F)(F)F)O
• InChI: 1S/C38H37F3O8S/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)/b6-4-,14-8+/t34-,35?/m0/s1
• InChIKey: IXJCHVMUTFCRBH-MGVWHGJXSA-N

Properties

• Density: 1.379g/cm³ (Cal.)
• Boiling point: 820.92°C at 760 mmHg (Cal.)
• Flash point: 450.276°C (Cal.)