[(2R,3S)-2-(hexadecanoylamino)-1-oxidanyl-octadecan-3-yl] benzoate

Systemtic Name: [(2R,3S)-2-(hexadecanoylamino)-1-oxidanyl-octadecan-3-yl] benzoate Openeye Name: [(1S)-1-[(1R)-1-(hexadecanoylamino)-2-hydroxy-ethyl]hexadecyl] benzoate CAS Name: benzoic acid [(2R,3S)-1-hydroxy-2-(1-oxohexadecylamino)octadecan-3-yl] ester IUPAC Name: [(2R,3S)-2-(hexadecanoylamino)-1-hydroxyoctadecan-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1R)-2-hydroxy-1-palmitamido-ethyl]hexadecyl] ester Formula: C41H73NO4 MolecularWeight: 644.02262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCC[C@@H]([C@@H](CO)NC(=O)CCCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C41H73NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-39(46-41(45)37-32-28-27-29-33-37)38(36-43)42-40(44)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,38-39,43H,3-26,30-31,34-36H2,1-2H3,(H,42,44)/t38-,39+/m1/s1