[(E,2S,3R)-2-(dodecanoylamino)-3-oxidanyl-octadec-4-enyl] (trimethylazaniumyl)methyl phosphate

Systemtic Name: [(E,2S,3R)-2-(dodecanoylamino)-3-oxidanyl-octadec-4-enyl] (trimethylazaniumyl)methyl phosphate Openeye Name: [(E,2S,3R)-2-(dodecanoylamino)-3-hydroxy-octadec-4-enyl] (trimethylammonio)methyl phosphate CAS Name: [(E,2S,3R)-3-hydroxy-2-(1-oxododecylamino)octadec-4-enyl] (trimethylammonio)methyl phosphate IUPAC Name: [(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enyl] (trimethylazaniumyl)methyl phosphate Traditional Name: [(E,2S,3R)-3-hydroxy-2-(lauroylamino)octadec-4-enyl] (trimethylammonio)methyl phosphate Formula: C34H69N2O6P MolecularWeight: 632.895221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H69N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-33(37)32(30-41-43(39,40)42-31-36(3,4)5)35-34(38)29-27-25-23-20-15-13-11-9-7-2/h26,28,32-33,37H,6-25,27,29-31H2,1-5H3,(H-,35,38,39,40)/b28-26+/t32-,33+/m0/s1