3-[(Z)-Docos-13-Enoyl]Oxy-4-Trimethylazaniumylbutanoate
[CAS# 36168-22-6]

Identification

• Name: 3-[(Z)-Docos-13-Enoyl]Oxy-4-Trimethylazaniumylbutanoate
• Synonyms: 3-[(Z)-Docos-13-Enoyl]Oxy-4-Trimethylammonio-Butanoate; 3-[(Z)-1-Oxodocos-13-Enoxy]-4-Trimethylammoniobutanoate; 3-[(Z)-Docos-13-Enoyl]Oxy-4-Trimethylammonio-Butyrate
• Molecular Formula: C₂₉H₅₅NO₄
• Molecular Weight: 481.76
• CAS Registry Number: 36168-22-6
• SMILES: C([N+](C)(C)C)C(OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)CC([O-])=O
• InChI: 1S/C29H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h12-13,27H,5-11,14-26H2,1-4H3/b13-12-
• InChIKey: WDWXOVLPQSTGNY-SEYXRHQNSA-N