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

Systemtic Name: [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide Openeye Name: [5-allylsulfanyl-2-(3-furyl)oxazol-4-yl]-triphenyl-phosphonium iodide CAS Name: [2-(3-furanyl)-5-(prop-2-enylthio)-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: [2-(furan-3-yl)-5-prop-2-enylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium iodide Traditional Name: [5-(allylthio)-2-(3-furyl)oxazol-4-yl]-triphenyl-phosphonium iodide Formula: C28H23INO2PS MolecularWeight: 595.430951

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(N=C(O1)C2=COC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

C=CCSC1=C(N=C(O1)C2=COC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C28H23NO2PS.HI/c1-2-20-33-28-27(29-26(31-28)22-18-19-30-21-22)32(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h2-19,21H,1,20H2;1H/q+1;/p-1