6-phenacylsulfanyl-2-phenyl-5-triphenylphosphaniumyl-pyrimidin-4-olate

Systemtic Name: 6-phenacylsulfanyl-2-phenyl-5-triphenylphosphaniumyl-pyrimidin-4-olate Openeye Name: 6-phenacylsulfanyl-2-phenyl-5-triphenylphosphaniumyl-pyrimidin-4-olate CAS Name: 6-(phenacylthio)-2-phenyl-5-triphenylphosphiniumyl-4-pyrimidinolate IUPAC Name: 6-phenacylsulfanyl-2-phenyl-5-triphenylphosphaniumylpyrimidin-4-olate Traditional Name: 6-(phenacylthio)-2-phenyl-5-triphenylphosphiniumyl-pyrimidin-4-olate Formula: C36H27N2O2PS MolecularWeight: 582.650541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=N2)SCC(=O)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=N2)SCC(=O)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[O-]

InChI

InChI=1S/C36H27N2O2PS/c39-32(27-16-6-1-7-17-27)26-42-36-33(35(40)37-34(38-36)28-18-8-2-9-19-28)41(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H,26H2