2-azaniumylethyl [(E)-2-(octadecanoylamino)-3-oxidanyl-octadec-4-enyl] phosphate

Systemtic Name: 2-azaniumylethyl [(E)-2-(octadecanoylamino)-3-oxidanyl-octadec-4-enyl] phosphate Openeye Name: 2-azaniumylethyl [(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] phosphate CAS Name: 2-ammonioethyl [(E)-3-hydroxy-2-(1-oxooctadecylamino)octadec-4-enyl] phosphate IUPAC Name: 2-azaniumylethyl [(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] phosphate Traditional Name: 2-ammonioethyl [(E)-3-hydroxy-2-stearamido-octadec-4-enyl] phosphate Formula: C38H77N2O6P MolecularWeight: 689.001541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[NH3+])C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[NH3+])C(/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C38H77N2O6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(42)40-36(35-46-47(43,44)45-34-33-39)37(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,36-37,41H,3-28,30,32-35,39H2,1-2H3,(H,40,42)(H,43,44)/b31-29+