2-[[(2S)-2-decanoyloxy-3-decanoylsulfanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S)-2-decanoyloxy-3-decanoylsulfanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-2-decanoyloxy-3-decanoylsulfanyl-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2S)-2-(1-oxodecoxy)-3-(1-oxodecylthio)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-2-decanoyloxy-3-decanoylsulfanylpropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-2-capryloxy-3-(caprylthio)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C28H57NO7PS+ MolecularWeight: 582.793441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC(COP(=O)(O)OCC[N+](C)(C)C)CSC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)O[C@@H](COP(=O)(O)OCC[N+](C)(C)C)CSC(=O)CCCCCCCCC

InChI

InChI=1S/C28H56NO7PS/c1-6-8-10-12-14-16-18-20-27(30)36-26(24-35-37(32,33)34-23-22-29(3,4)5)25-38-28(31)21-19-17-15-13-11-9-7-2/h26H,6-25H2,1-5H3/p+1/t26-/m0/s1