[2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide

Systemtic Name: [2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide Openeye Name: [2-(2,4-dichlorophenyl)-5-methylsulfanyl-oxazol-4-yl]-triphenyl-phosphonium iodide CAS Name: [2-(2,4-dichlorophenyl)-5-(methylthio)-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: [2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium iodide Traditional Name: [2-(2,4-dichlorophenyl)-5-(methylthio)oxazol-4-yl]-triphenyl-phosphonium iodide Formula: C28H21Cl2INOPS MolecularWeight: 648.321671

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N=C(O1)C2=C(C=C(C=C2)Cl)Cl)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CSC1=C(N=C(O1)C2=C(C=C(C=C2)Cl)Cl)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C28H21Cl2NOPS.HI/c1-34-28-27(31-26(32-28)24-18-17-20(29)19-25(24)30)33(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-19H,1H3;1H/q+1;/p-1