5,11,17,23-Tetranitropentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene-25,26,27,28-Tetrol
[CAS# 109051-62-9]

Identification

• Name: 5,11,17,23-Tetranitropentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene-25,26,27,28-Tetrol
• Molecular Formula: C₂₈H₂₀N₄O₁₂
• Molecular Weight: 604.48
• CAS Registry Number: 109051-62-9
• SMILES: [O-][N+](=O)c1cc5c(O)c(c1)Cc2c(O)c(cc([N+]([O-])=O)c2)Cc3c(O)c(cc([N+]([O-])=O)c3)Cc4cc([N+]([O-])=O)cc(c4O)C5
• InChI: 1S/C28H20N4O12/c33-25-13-1-14-6-22(30(39)40)8-16(26(14)34)3-18-10-24(32(43)44)12-20(28(18)36)4-19-11-23(31(41)42)9-17(27(19)35)2-15(25)7-21(5-13)29(37)38/h5-12,33-36H,1-4H2
• InChIKey: FEWUPZXDXAWOFQ-UHFFFAOYSA-N

Properties

• Density: 1.62g/cm³ (Cal.)
• Boiling point: 816.109°C at 760 mmHg (Cal.)
• Flash point: 303.986°C (Cal.)
• Refractive index: 1.74 (Cal.)