Sodium (2-Hydroxyethyl)[2-Hydroxy-3-Sulphonatopropyl](Methyl)[2-[(1-Oxooctadec-9-Enyl)Amino]Ethyl]Ammonium Methyl Sulphate
[CAS# 73791-62-5]

Identification

• Name: Sodium (2-Hydroxyethyl)[2-Hydroxy-3-Sulphonatopropyl](Methyl)[2-[(1-Oxooctadec-9-Enyl)Amino]Ethyl]Ammonium Methyl Sulphate
• Synonyms: Sodium; 2-Hydroxy-3-[2-Hydroxyethyl-Methyl-[2-[[(E)-Octadec-9-Enoyl]Amino]Ethyl]Ammonio]Propane-1-Sulfonate; Methyl Sulfate; Sodium; 2-Hydroxy-3-[2-Hydroxyethyl-Methyl-[2-[[(E)-1-Oxooctadec-9-Enyl]Amino]Ethyl]Ammonio]Propane-1-Sulfonate; Methyl Sulfate
• Molecular Formula: C₂₇H₅₅N₂NaO₁₀S₂
• Molecular Weight: 654.85
• CAS Registry Number: 73791-62-5
• EINECS: 277-607-4
• SMILES: C([N+](CCNC(=O)CCCCCCC\C=C\CCCCCCCC)(CCO)C)C(O)C[S]([O-])(=O)=O.CO[S]([O-])(=O)=O.[Na+]
• InChI: 1S/C26H52N2O6S.CH4O4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(31)27-19-20-28(2,21-22-29)23-25(30)24-35(32,33)34;1-5-6(2,3)4;/h10-11,25,29-30H,3-9,12-24H2,1-2H3,(H-,27,31,32,33,34);1H3,(H,2,3,4);/q;;+1/p-1/b11-10+
• InChIKey: HUYSJTOEPQIWCM-BGNBUWATSA-M