(2-methyl-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl)-triphenyl-phosphanium iodide

Systemtic Name: (2-methyl-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl)-triphenyl-phosphanium iodide Openeye Name: (5-allylsulfanyl-2-methyl-oxazol-4-yl)-triphenyl-phosphonium iodide CAS Name: [2-methyl-5-(prop-2-enylthio)-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: (2-methyl-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl)-triphenylphosphanium iodide Traditional Name: [5-(allylthio)-2-methyl-oxazol-4-yl]-triphenyl-phosphonium iodide Formula: C25H23INOPS MolecularWeight: 543.399451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)SCC=C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC1=NC(=C(O1)SCC=C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C25H23NOPS.HI/c1-3-19-29-25-24(26-20(2)27-25)28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h3-18H,1,19H2,2H3;1H/q+1;/p-1