Phomalirazine
[CAS# 119694-49-4]

Identification

• Name: Phomalirazine
• Molecular Formula: C₁₇H₂₀N₂O₆S₂
• Molecular Weight: 412.47
• CAS Registry Number: 119694-49-4
• SMILES: C(C45SSC2(N(C1CC3=C(C(C1(C2)O)=O)C(C(C)O3)(C)C)C4=O)C(N5)=O)O
• InChI: 1S/C17H20N2O6S2/c1-7-14(2,3)10-8(25-7)4-9-15(24,11(10)21)5-17-12(22)18-16(6-20,26-27-17)13(23)19(9)17/h7,9,20,24H,4-6H2,1-3H3,(H,18,22)
• InChIKey: OSRGMDLTJLMMIF-UHFFFAOYSA-N

Properties

• Density: 1.691g/cm³ (Cal.)
• Boiling point: 764.09°C at 760 mmHg (Cal.)
• Flash point: 415.907°C (Cal.)