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

Systemtic Name: [2-(4-chlorophenyl)-5-propylsulfanyl-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide Openeye Name: [2-(4-chlorophenyl)-5-propylsulfanyl-oxazol-4-yl]-triphenyl-phosphonium iodide CAS Name: [2-(4-chlorophenyl)-5-(propylthio)-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: [2-(4-chlorophenyl)-5-propylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium iodide Traditional Name: [2-(4-chlorophenyl)-5-(propylthio)oxazol-4-yl]-triphenyl-phosphonium iodide Formula: C30H26ClINOPS MolecularWeight: 641.929771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(N=C(O1)C2=CC=C(C=C2)Cl)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CCCSC1=C(N=C(O1)C2=CC=C(C=C2)Cl)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C30H26ClNOPS.HI/c1-2-22-35-30-29(32-28(33-30)23-18-20-24(31)21-19-23)34(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-21H,2,22H2,1H3;1H/q+1;/p-1