2-[[2-(hexadecoxymethyl)-4,5-bis(oxidanylidene)henicosoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-(hexadecoxymethyl)-4,5-bis(oxidanylidene)henicosoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-(hexadecoxymethyl)-4,5-dioxo-henicosoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-(hexadecoxymethyl)-4,5-dioxoheneicosoxy]-hydroxyphosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-(hexadecoxymethyl)-4,5-dioxohenicosoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-(cetyloxymethyl)-4,5-diketo-heneicosoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C43H87NO6P+ MolecularWeight: 745.127741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)C(=O)CC(COCCCCCCCCCCCCCCCC)COP(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)C(=O)CC(COCCCCCCCCCCCCCCCC)COP(O)OCC[N+](C)(C)C

InChI

InChI=1S/C43H87NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(45)43(46)38-41(40-50-51(47)49-37-35-44(3,4)5)39-48-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41,47H,6-40H2,1-5H3/q+1