butyl-[3-[(2-dodecanoyloxy-3-octadecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxy-3-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: butyl-[3-[(2-dodecanoyloxy-3-octadecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxy-3-oxidanyl-propyl]-dimethyl-azanium Openeye Name: butyl-[3-[(2-dodecanoyloxy-3-octadecanoyloxy-propoxy)-hydroxy-phosphoryl]oxy-3-hydroxy-propyl]-dimethyl-ammonium CAS Name: butyl-[3-hydroxy-3-[hydroxy-[2-(1-oxododecoxy)-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxypropyl]-dimethylammonium IUPAC Name: butyl-[3-[(2-dodecanoyloxy-3-octadecanoyloxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropyl]-dimethylazanium Traditional Name: butyl-[3-hydroxy-3-[hydroxy-(2-lauroyloxy-3-stearoyloxy-propoxy)phosphoryl]oxy-propyl]-dimethyl-ammonium Formula: C42H85NO9P+ MolecularWeight: 779.099361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H84NO9P/c1-6-9-12-14-16-18-19-20-21-22-23-25-26-28-30-32-40(44)49-37-39(51-41(45)33-31-29-27-24-17-15-13-10-7-2)38-50-53(47,48)52-42(46)34-36-43(4,5)35-11-8-3/h39,42,46H,6-38H2,1-5H3/p+1