3-(Dimethyl{3-[(9Z)-9-octadecenoylamino]propyl}ammonio)-2-hydroxy-1-propanesulfonate
[CAS# 93941-94-7]

Identification

• Name: 3-(Dimethyl{3-[(9Z)-9-octadecenoylamino]propyl}ammonio)-2-hydroxy-1-propanesulfonate
• Synonyms: (Z)-2-hydroxy-3-sulphonatopropyldimethyl[3-[(1-oxo-9-octadecenyl)amino]propyl]ammonium
• Molecular Formula: C₂₆H₅₂N₂O₅S
• Molecular Weight: 504.77
• CAS Registry Number: 93941-94-7
• EINECS: 300-543-6
• SMILES: [O-]S(=O)(=O)CC(O)C[N+](C)(C)CCCNC(=O)CCCCCCC/C=C\CCCCCCCC
• InChI: 1S/C26H52N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(30)27-21-19-22-28(2,3)23-25(29)24-34(31,32)33/h11-12,25,29H,4-10,13-24H2,1-3H3,(H-,27,30,31,32,33)/b12-11-
• InChIKey: CNIGBCBFYDWQHS-QXMHVHEDSA-N