(5-butylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-phosphanium iodide

Systemtic Name: (5-butylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-phosphanium iodide Openeye Name: (5-butylsulfanyl-2-phenyl-oxazol-4-yl)-triphenyl-phosphonium iodide CAS Name: [5-(butylthio)-2-phenyl-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: (5-butylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium iodide Traditional Name: [5-(butylthio)-2-phenyl-oxazol-4-yl]-triphenyl-phosphonium iodide Formula: C31H29INOPS MolecularWeight: 621.511291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(N=C(O1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CCCCSC1=C(N=C(O1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C31H29NOPS.HI/c1-2-3-24-35-31-30(32-29(33-31)25-16-8-4-9-17-25)34(26-18-10-5-11-19-26,27-20-12-6-13-21-27)28-22-14-7-15-23-28;/h4-23H,2-3,24H2,1H3;1H/q+1;/p-1