2-[[(2R)-3-[(Z)-icos-9-enoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-3-[(Z)-icos-9-enoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-icos-9-enoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-1-oxoeicos-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-icos-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-3-[(Z)-eicos-9-enoyl]oxy-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C28H57NO7P+ MolecularWeight: 550.728441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O

InChI

InChI=1S/C28H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h14-15,27,30H,5-13,16-26H2,1-4H3/p+1/b15-14-/t27-/m1/s1