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

Systemtic Name: [2-(4-chlorophenyl)-5-thiocyanato-1,3-oxazol-4-yl]-triphenyl-phosphanium perchlorate Openeye Name: [2-(4-chlorophenyl)-5-thiocyanato-oxazol-4-yl]-triphenyl-phosphonium perchlorate CAS Name: [2-(4-chlorophenyl)-5-thiocyanato-4-oxazolyl]-triphenylphosphonium perchlorate IUPAC Name: [2-(4-chlorophenyl)-5-thiocyanato-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate Traditional Name: [2-(4-chlorophenyl)-5-thiocyanato-oxazol-4-yl]-triphenyl-phosphonium perchlorate Formula: C28H19Cl2N2O5PS MolecularWeight: 597.405621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(OC(=N4)C5=CC=C(C=C5)Cl)SC#N.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(OC(=N4)C5=CC=C(C=C5)Cl)SC#N.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H19ClN2OPS.ClHO4/c29-22-18-16-21(17-19-22)26-31-27(28(32-26)34-20-30)33(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;2-1(3,4)5/h1-19H;(H,2,3,4,5)/q+1;/p-1