4-Oxo-2-(1-pyrenyloxy)-3-(triacontanoyloxy)nonyl 2-(trimethylammonio)ethyl phosphate
[CAS# 88555-56-0]

Identification

• Name: 4-Oxo-2-(1-pyrenyloxy)-3-(triacontanoyloxy)nonyl 2-(trimethylammonio)ethyl phosphate
• Synonyms: 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine; 3,5,9-Trioxa-4-phosphanonatriacontan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxo-6-(1-pyrenyl)hexyl)oxy)-, hydroxide, inner salt, 4-oxide
• Molecular Formula: C₆₀H₉₆NO₈P
• Molecular Weight: 990.38
• CAS Registry Number: 88555-56-0
• SMILES: O=C(CCCCC)C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C(Oc4ccc2ccc1cccc3c1c2c4cc3)COP([O-])(=O)OCC[N+](C)(C)C
• InChI: 1S/C60H96NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-40-57(63)69-60(54(62)39-34-9-7-2)56(49-67-70(64,65)66-48-47-61(3,4)5)68-55-46-44-52-42-41-50-37-36-38-51-43-45-53(55)59(52)58(50)51/h36-38,41-46,56,60H,6-35,39-40,47-49H2,1-5H3
• InChIKey: IMENVZXFEUSSEB-UHFFFAOYSA-N