2-[[2-(5,5-diethoxypentylperoxy)-3-hexadecoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-(5,5-diethoxypentylperoxy)-3-hexadecoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-(5,5-diethoxypentylperoxy)-3-hexadecoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-(5,5-diethoxypentyldioxy)-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-(5,5-diethoxypentylperoxy)-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-cetyloxy-2-(5,5-diethoxypentylperoxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C33H71NO9P+ MolecularWeight: 656.891901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OOCCCCC(OCC)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OOCCCCC(OCC)OCC

InChI

InChI=1S/C33H70NO9P/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-23-27-37-30-32(31-42-44(35,36)41-29-26-34(4,5)6)43-40-28-24-22-25-33(38-8-2)39-9-3/h32-33H,7-31H2,1-6H3/p+1