2-[[(2S)-3-hexadecanoyloxy-2-[(E)-5-oxidanyl-8-oxidanylidene-oct-6-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S)-3-hexadecanoyloxy-2-[(E)-5-oxidanyl-8-oxidanylidene-oct-6-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-3-hexadecanoyloxy-2-[(E)-5-hydroxy-8-oxo-oct-6-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2S)-2-[(E)-5-hydroxy-1,8-dioxooct-6-enoxy]-3-(1-oxohexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-3-hexadecanoyloxy-2-[(E)-5-hydroxy-8-oxooct-6-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-3-hexadecanoyloxy-2-[(E)-5-hydroxy-8-keto-oct-6-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C32H61NO10P+ MolecularWeight: 650.801201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC(C=CC=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC(/C=C/C=O)O

InChI

InChI=1S/C32H60NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31(36)40-27-30(28-42-44(38,39)41-26-24-33(2,3)4)43-32(37)23-18-20-29(35)21-19-25-34/h19,21,25,29-30,35H,5-18,20,22-24,26-28H2,1-4H3/p+1/b21-19+/t29?,30-/m0/s1