2,2,2-Trifluoro-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
[CAS# 76129-16-3]

Identification

• Name: 2,2,2-Trifluoro-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
• Synonyms: 2,2,2-Trifluoro-N-[(7S)-1,2,3-Trimethoxy-10-(Methylthio)-9-Oxo-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Acetamide; 2,2,2-Trifluoro-N-[(7S)-9-Keto-1,2,3-Trimethoxy-10-(Methylthio)-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Acetamide; 2,2,2-Trifluoro-N-[(7S)-1,2,3-Trimethoxy-10-Methylsulfanyl-9-Oxo-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Ethanamide
• Molecular Formula: C₂₂H₂₂F₃NO₅S
• Molecular Weight: 469.47
• CAS Registry Number: 76129-16-3
• SMILES: [C@@H]3(NC(=O)C(F)(F)F)C1=CC(=O)C(=CC=C1C2=C(C=C(OC)C(=C2OC)OC)CC3)SC
• InChI: 1S/C22H22F3NO5S/c1-29-16-9-11-5-7-14(26-21(28)22(23,24)25)13-10-15(27)17(32-4)8-6-12(13)18(11)20(31-3)19(16)30-2/h6,8-10,14H,5,7H2,1-4H3,(H,26,28)/t14-/m0/s1
• InChIKey: LNELBQZKXVASLW-AWEZNQCLSA-N

Properties

• Density: 1.377g/cm³ (Cal.)
• Boiling point: 685.98°C at 760 mmHg (Cal.)
• Flash point: 368.668°C (Cal.)