[2-[12-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Dodecanoyloxy]-3-[(Z)-Octadec-9-Enoyl]Oxypropyl] 2-Trimethylazaniumylethyl Phosphate
[CAS# 131479-28-2]

Identification

• Name: [2-[12-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Dodecanoyloxy]-3-[(Z)-Octadec-9-Enoyl]Oxypropyl] 2-Trimethylazaniumylethyl Phosphate
• Synonyms: [2-[12-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Dodecanoyloxy]-3-[(Z)-Octadec-9-Enoyl]Oxy-Propyl] 2-Trimethylammonioethyl Phosphate; [2-[12-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]-1-Oxododecoxy]-3-[(Z)-1-Oxooctadec-9-Enoxy]Propyl] 2-Trimethylammonioethyl Phosphate; [2-[12-[(7-Nitrobenzofurazan-4-Yl)Amino]Dodecanoyloxy]-3-[(Z)-Octadec-9-Enoyl]Oxy-Propyl] 2-Trimethylammonioethyl Phosphate
• Molecular Formula: C₄₄H₇₆N₅O₁₁P
• Molecular Weight: 882.09
• CAS Registry Number: 131479-28-2
• SMILES: C2=C([N+]([O-])=O)C1=NON=C1C(=C2)NCCCCCCCCCCCC(OC(CO[P](OCC[N+](C)(C)C)([O-])=O)COC(=O)CCCCCCC\C=C/CCCCCCCC)=O
• InChI: 1S/C44H76N5O11P/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-29-41(50)56-36-38(37-58-61(54,55)57-35-34-49(2,3)4)59-42(51)30-27-24-21-18-16-19-22-25-28-33-45-39-31-32-40(48(52)53)44-43(39)46-60-47-44/h12-13,31-32,38H,5-11,14-30,33-37H2,1-4H3,(H-,45,47,54,55)/b13-12-
• InChIKey: DLMNHXAJBHZYME-SEYXRHQNSA-N