[(1R)-1-[(9Z,12Z)-3-hexadecanoyloxyoctadeca-9,12-dienoyl]oxy-2-[oxidanyl(propoxy)phosphoryl]oxy-ethyl]-trimethyl-azanium

Systemtic Name: [(1R)-1-[(9Z,12Z)-3-hexadecanoyloxyoctadeca-9,12-dienoyl]oxy-2-[oxidanyl(propoxy)phosphoryl]oxy-ethyl]-trimethyl-azanium Openeye Name: [(1R)-1-[(9Z,12Z)-3-hexadecanoyloxyoctadeca-9,12-dienoyl]oxy-2-[hydroxy(propoxy)phosphoryl]oxy-ethyl]-trimethyl-ammonium CAS Name: [(1R)-2-[hydroxy(propoxy)phosphoryl]oxy-1-[(9Z,12Z)-1-oxo-3-(1-oxohexadecoxy)octadeca-9,12-dienoxy]ethyl]-trimethylammonium IUPAC Name: [(1R)-1-[(9Z,12Z)-3-hexadecanoyloxyoctadeca-9,12-dienoyl]oxy-2-[hydroxy(propoxy)phosphoryl]oxyethyl]-trimethylazanium Traditional Name: [(1R)-1-[(9Z,12Z)-3-hexadecanoyloxyoctadeca-9,12-dienoyl]oxy-2-[hydroxy(propoxy)phosphoryl]oxy-ethyl]-trimethyl-ammonium Formula: C42H81NO8P+ MolecularWeight: 759.068201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CCCCCC=CCC=CCCCCC)CC(=O)OC(COP(=O)(O)OCCC)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CCCCC/C=C\C/C=C\CCCCC)CC(=O)O[C@H](COP(=O)(O)OCCC)[N+](C)(C)C

InChI

InChI=1S/C42H80NO8P/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-39(37-42(45)51-40(43(4,5)6)38-49-52(46,47)48-36-9-3)50-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h16,18,22,24,39-40H,7-15,17,19-21,23,25-38H2,1-6H3/p+1/b18-16-,24-22-/t39?,40-/m1/s1