2-[[(2S)-2-(hydroxymethyl)-10-methoxy-1-(8-methoxyhexadecanoyloxy)-3-oxidanylidene-octadecan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S)-2-(hydroxymethyl)-10-methoxy-1-(8-methoxyhexadecanoyloxy)-3-oxidanylidene-octadecan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hydroxy-[(1S)-1-(hydroxymethyl)-9-methoxy-1-(8-methoxyhexadecanoyloxymethyl)-2-oxo-heptadecoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2S)-1-hydroxy-10-methoxy-2-[(8-methoxy-1-oxohexadecoxy)methyl]-3-oxooctadecan-2-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(2S)-1-hydroxy-10-methoxy-2-(8-methoxyhexadecanoyloxymethyl)-3-oxooctadecan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(1S)-2-keto-9-methoxy-1-(8-methoxyhexadecanoyloxymethyl)-1-methylol-heptadecoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H85NO10P+ MolecularWeight: 795.098761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCC(=O)C(CO)(COC(=O)CCCCCCC(CCCCCCCC)OC)OP(=O)(O)OCC[N+](C)(C)C)OC

Isomeric SMILES

CCCCCCCCC(CCCCCCC(=O)[C@](CO)(COC(=O)CCCCCCC(CCCCCCCC)OC)OP(=O)(O)OCC[N+](C)(C)C)OC

InChI

InChI=1S/C42H84NO10P/c1-8-10-12-14-16-22-28-38(49-6)30-24-18-20-26-32-40(45)42(36-44,53-54(47,48)52-35-34-43(3,4)5)37-51-41(46)33-27-21-19-25-31-39(50-7)29-23-17-15-13-11-9-2/h38-39,44H,8-37H2,1-7H3/p+1/t38?,39?,42-/m0/s1