[3-Hydroxy-2-[6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyloxy]Propyl] (Z)-Octadec-9-Enoate
[CAS# 155581-64-9]

Identification

• Name: [3-Hydroxy-2-[6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanoyloxy]Propyl] (Z)-Octadec-9-Enoate
• Synonyms: (Z)-Octadec-9-Enoic Acid [3-Hydroxy-2-[6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]-1-Oxohexoxy]Propyl] Ester; (Z)-Octadec-9-Enoic Acid [3-Hydroxy-2-[6-[(7-Nitrobenzofurazan-4-Yl)Amino]Hexanoyloxy]Propyl] Ester; 1-Oleoyl-2-(6-(7-Nitrobenzo-2-Oxa-1,3-Diazol-4-Yl)Hexanoyl)Glycerol
• Molecular Formula: C₃₃H₅₂N₄O₈
• Molecular Weight: 632.80
• CAS Registry Number: 155581-64-9
• SMILES: C2=C([N+]([O-])=O)C1=NON=C1C(=C2)NCCCCCC(OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)CO)=O
• InChI: 1S/C33H52N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-30(39)43-26-27(25-38)44-31(40)21-18-16-19-24-34-28-22-23-29(37(41)42)33-32(28)35-45-36-33/h9-10,22-23,27,34,38H,2-8,11-21,24-26H2,1H3/b10-9-
• InChIKey: OLPXOHBIRITKMO-KTKRTIGZSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 734.838°C at 760 mmHg (Cal.)
• Flash point: 398.216°C (Cal.)