trimethyl-[2-[[2-[(E)-octadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-nonadecan-3-yl]oxy-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[2-[(E)-octadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-nonadecan-3-yl]oxy-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[1-[2-hydroxy-1-[(E)-octadec-9-enoyl]oxy-ethyl]-2-oxo-heptadecoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[1-hydroxy-4-oxo-2-[(E)-1-oxooctadec-9-enoxy]nonadecan-3-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[1-hydroxy-2-[(E)-octadec-9-enoyl]oxy-4-oxononadecan-3-yl]oxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[1-[2-hydroxy-1-[(E)-octadec-9-enoyl]oxy-ethyl]-2-keto-heptadecoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H83NO8P+ MolecularWeight: 761.084081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCCCCC/C=C/CCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(46)50-40(38-44)42(51-52(47,48)49-37-36-43(3,4)5)39(45)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40,42,44H,6-19,22-38H2,1-5H3/p+1/b21-20+