(S)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxodecyl)thio)-3,5-dioxa-9-thia-4-phosphanonadecan-1-aminium hydroxide inner salt 4-oxide
[CAS# 90906-05-1]

Identification

• Name: (S)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxodecyl)thio)-3,5-dioxa-9-thia-4-phosphanonadecan-1-aminium hydroxide inner salt 4-oxide
• Synonyms: [(2S)-2,3-Bis(Decanoylsulfanyl)Propyl] 2-Trimethylammonioethyl Phosphate; [(2S)-2,3-Bis(1-Oxodecylthio)Propyl] 2-Trimethylammonioethyl Phosphate; [(2S)-2,3-Bis(Caprylthio)Propyl] 2-Trimethylammonioethyl Phosphate
• Molecular Formula: C₂₈H₅₆NO₆PS₂
• Molecular Weight: 597.85
• CAS Registry Number: 90906-05-1
• SMILES: [C@H](CO[P](OCC[N+](C)(C)C)(=O)[O-])(CSC(CCCCCCCCC)=O)SC(CCCCCCCCC)=O
• InChI: 1S/C28H56NO6PS2/c1-6-8-10-12-14-16-18-20-27(30)37-25-26(24-35-36(32,33)34-23-22-29(3,4)5)38-28(31)21-19-17-15-13-11-9-7-2/h26H,6-25H2,1-5H3/t26-/m0/s1
• InChIKey: JFIRWDCBJXNJFI-SANMLTNESA-N