(2E)-4-[2,3-Dinitro-4-(2-octanyl)phenyl]-2-butenoic acid
[CAS# 86841-63-6]

Identification

• Name: (2E)-4-[2,3-Dinitro-4-(2-octanyl)phenyl]-2-butenoic acid
• Molecular Formula: C₁₈H₂₄N₂O₆
• Molecular Weight: 364.39
• CAS Registry Number: 86841-63-6
• SMILES: [O-][N+](=O)c1c(ccc(c1[N+]([O-])=O)C/C=C/C(=O)O)C(C)CCCCCC
• InChI: 1S/C18H24N2O6/c1-3-4-5-6-8-13(2)15-12-11-14(9-7-10-16(21)22)17(19(23)24)18(15)20(25)26/h7,10-13H,3-6,8-9H2,1-2H3,(H,21,22)/b10-7+
• InChIKey: UUZTXAQNPFUNSR-JXMROGBWSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 557.886°C at 760 mmHg (Cal.)
• Flash point: 220.389°C (Cal.)