2-[[(E,2S,3R)-2-(dodecanoylamino)-3-oxidanyl-octadec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(E,2S,3R)-2-(dodecanoylamino)-3-oxidanyl-octadec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(E,2S,3R)-2-(dodecanoylamino)-3-hydroxy-octadec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-(1-oxododecylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-(lauroylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C35H72N2O6P+ MolecularWeight: 647.929741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC)O

InChI

InChI=1S/C35H71N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-34(38)33(32-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-23-20-15-13-11-9-7-2/h26,28,33-34,38H,6-25,27,29-32H2,1-5H3,(H-,36,39,40,41)/p+1/b28-26+/t33-,34+/m0/s1