3-[[3-(2-hexadecylphenoxy)-2-propanoyloxy-propoxy]-oxidanyl-phosphanyl]oxypropyl-dimethyl-azanium

Systemtic Name: 3-[[3-(2-hexadecylphenoxy)-2-propanoyloxy-propoxy]-oxidanyl-phosphanyl]oxypropyl-dimethyl-azanium Openeye Name: 3-[[3-(2-hexadecylphenoxy)-2-propanoyloxy-propoxy]-hydroxy-phosphanyl]oxypropyl-dimethyl-ammonium CAS Name: 3-[[3-(2-hexadecylphenoxy)-2-(1-oxopropoxy)propoxy]-hydroxyphosphino]oxypropyl-dimethylammonium IUPAC Name: 3-[[3-(2-hexadecylphenoxy)-2-propanoyloxypropoxy]-hydroxyphosphanyl]oxypropyl-dimethylazanium Traditional Name: 3-[[3-(2-cetylphenoxy)-2-propionyloxy-propoxy]-hydroxy-phosphino]oxypropyl-dimethyl-ammonium Formula: C33H61NO6P+ MolecularWeight: 598.814301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(O)OCCC[NH+](C)C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(O)OCCC[NH+](C)C)OC(=O)CC

InChI

InChI=1S/C33H60NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-24-20-21-25-32(30)37-28-31(40-33(35)6-2)29-39-41(36)38-27-22-26-34(3)4/h20-21,24-25,31,36H,5-19,22-23,26-29H2,1-4H3/p+1