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

Systemtic Name: [5-butylsulfanyl-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide Openeye Name: [5-butylsulfanyl-2-(4-chlorophenyl)oxazol-4-yl]-triphenyl-phosphonium iodide CAS Name: [5-(butylthio)-2-(4-chlorophenyl)-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: [5-butylsulfanyl-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-triphenylphosphanium iodide Traditional Name: [5-(butylthio)-2-(4-chlorophenyl)oxazol-4-yl]-triphenyl-phosphonium iodide Formula: C31H28ClINOPS MolecularWeight: 655.956351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=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

CCCCSC1=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/C31H28ClNOPS.HI/c1-2-3-23-36-31-30(33-29(34-31)24-19-21-25(32)22-20-24)35(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28;/h4-22H,2-3,23H2,1H3;1H/q+1;/p-1