(6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium perchlorate

Systemtic Name: (6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium perchlorate Openeye Name: (6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium perchlorate CAS Name: (6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenylphosphonium perchlorate IUPAC Name: (6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenylphosphanium perchlorate Traditional Name: (6-keto-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium perchlorate Formula: C28H22ClN2O5P MolecularWeight: 532.911441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21N2OP.ClHO4/c31-28-26(21-29-27(30-28)22-13-5-1-6-14-22)32(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5/h1-21H;(H,2,3,4,5)