2,5-diphenyl-4-(2-triphenylphosphaniumylethanoyl)pyrazol-3-olate

Systemtic Name: 2,5-diphenyl-4-(2-triphenylphosphaniumylethanoyl)pyrazol-3-olate Openeye Name: 2,5-diphenyl-4-(2-triphenylphosphaniumylacetyl)pyrazol-3-olate CAS Name: 4-(1-oxo-2-triphenylphosphiniumylethyl)-2,5-diphenyl-3-pyrazololate IUPAC Name: 2,5-diphenyl-4-(2-triphenylphosphaniumylacetyl)pyrazol-3-olate Traditional Name: 2,5-diphenyl-4-(2-triphenylphosphiniumylacetyl)pyrazol-3-olate Formula: C35H27N2O2P MolecularWeight: 538.574841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2C(=O)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-])C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2C(=O)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-])C6=CC=CC=C6

InChI

InChI=1S/C35H27N2O2P/c38-32(33-34(27-16-6-1-7-17-27)36-37(35(33)39)28-18-8-2-9-19-28)26-40(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H,26H2