[1-[2-[(2,4-Dinitrophenyl)Amino]Ethoxy-Hydroxyphosphoryl]Oxy-3-[(E)-Octadec-9-Enoyl]Oxypropan-2-Yl] (Z)-Octadec-9-Enoate
[CAS# 129509-47-3]

Identification

• Name: [1-[2-[(2,4-Dinitrophenyl)Amino]Ethoxy-Hydroxyphosphoryl]Oxy-3-[(E)-Octadec-9-Enoyl]Oxypropan-2-Yl] (Z)-Octadec-9-Enoate
• Synonyms: [1-[[2-[(2,4-Dinitrophenyl)Amino]Ethoxy-Hydroxy-Phosphoryl]Oxymethyl]-2-[(E)-Octadec-9-Enoyl]Oxy-Ethyl] (Z)-Octadec-9-Enoate; (Z)-Octadec-9-Enoic Acid [1-[[2-[(2,4-Dinitrophenyl)Amino]Ethoxy-Hydroxyphosphoryl]Oxymethyl]-2-[(E)-1-Oxooctadec-9-Enoxy]Ethyl] Ester; (Z)-Octadec-9-Enoic Acid [1-[[2-[(2,4-Dinitrophenyl)Amino]Ethoxy-Hydroxy-Phosphoryl]Oxymethyl]-2-[(E)-Octadec-9-Enoyl]Oxy-Ethyl] Ester
• Molecular Formula: C₄₇H₈₀N₃O₁₂P
• Molecular Weight: 910.14
• CAS Registry Number: 129509-47-3
• SMILES: C1=C([N+]([O-])=O)C(=CC=C1[N+]([O-])=O)NCCO[P](OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC)(=O)O
• InChI: 1S/C47H80N3O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-46(51)59-40-43(62-47(52)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-61-63(57,58)60-38-37-48-44-36-35-42(49(53)54)39-45(44)50(55)56/h17-20,35-36,39,43,48H,3-16,21-34,37-38,40-41H2,1-2H3,(H,57,58)/b19-17+,20-18-
• InChIKey: CUKMNLCNDIKKGF-NADBREJJSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 895.423°C at 760 mmHg (Cal.)
• Flash point: 495.334°C (Cal.)