[(1S,2R)-1-oxidanyl-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecan-2-yl] methanesulfonate

Systemtic Name: [(1S,2R)-1-oxidanyl-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecan-2-yl] methanesulfonate Openeye Name: [(1R)-1-[(S)-hydroxy-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl]pentadecyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2R)-1-hydroxy-1-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]hexadecan-2-yl] ester IUPAC Name: [(1S,2R)-1-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1R)-1-[(S)-hydroxy-[(4S)-2-phenyl-2-oxazolin-4-yl]methyl]pentadecyl] ester Formula: C26H43NO5S MolecularWeight: 481.68832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C1COC(=N1)C2=CC=CC=C2)O)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@@H]1COC(=N1)C2=CC=CC=C2)O)OS(=O)(=O)C

InChI

InChI=1S/C26H43NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-24(32-33(2,29)30)25(28)23-21-31-26(27-23)22-18-15-14-16-19-22/h14-16,18-19,23-25,28H,3-13,17,20-21H2,1-2H3/t23-,24+,25-/m0/s1