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

Systemtic Name: [(1S,2R)-1-oxidanyl-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[(S)-hydroxy-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl]pentadecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-[(S)-hydroxy-[(4S)-2-phenyl-2-oxazolin-4-yl]methyl]pentadecyl] ester Formula: C32H47NO5S MolecularWeight: 557.78428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C1COC(=N1)C2=CC=CC=C2)O)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@@H]1COC(=N1)C2=CC=CC=C2)O)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C32H47NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-30(38-39(35,36)28-23-21-26(2)22-24-28)31(34)29-25-37-32(33-29)27-18-15-14-16-19-27/h14-16,18-19,21-24,29-31,34H,3-13,17,20,25H2,1-2H3/t29-,30+,31-/m0/s1