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

Systemtic Name: 2-[[3-decanoyloxy-2-(2-oxidanylideneheptadecanethioyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-decanoyloxy-2-(2-oxoheptadecanethioyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxodecoxy)-2-(2-oxo-1-sulfanylideneheptadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-decanoyloxy-2-(2-oxoheptadecanethioyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-capryloxy-2-(2-ketoheptadecanethioyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C35H69NO8PS+ MolecularWeight: 694.963021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(=S)OC(COC(=O)CCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(=S)OC(COC(=O)CCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C35H68NO8PS/c1-6-8-10-12-14-15-16-17-18-19-21-22-24-26-33(37)35(46)44-32(31-43-45(39,40)42-29-28-36(3,4)5)30-41-34(38)27-25-23-20-13-11-9-7-2/h32H,6-31H2,1-5H3/p+1