2-(1-Oxooctadecyl)-1H-Thioxantheno[2,1,9-Def]Isoquinoline-1,3(2H)-Dione
[CAS# 72269-57-9]

Identification

• Name: 2-(1-Oxooctadecyl)-1H-Thioxantheno[2,1,9-Def]Isoquinoline-1,3(2H)-Dione
• Molecular Formula: C₃₆H₄₃NO₃S
• Molecular Weight: 569.80
• CAS Registry Number: 72269-57-9
• SMILES: C1=CC=CC4=C1SC3=CC=C2C(=O)N(C(=O)CCCCCCCCCCCCCCCCC)C(C5=C2C3=C4C=C5)=O
• InChI: 1S/C36H43NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(38)37-35(39)28-23-22-27-26-19-17-18-20-30(26)41-31-25-24-29(36(37)40)33(28)34(27)31/h17-20,22-25H,2-16,21H2,1H3
• InChIKey: NJKOQURNMWMBBO-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 733.297°C at 760 mmHg (Cal.)
• Flash point: 397.284°C (Cal.)