2-methyl-5-phenyl-4-(2-triphenylphosphaniumylethanoyl)pyrazol-3-olate

Systemtic Name: 2-methyl-5-phenyl-4-(2-triphenylphosphaniumylethanoyl)pyrazol-3-olate Openeye Name: 2-methyl-5-phenyl-4-(2-triphenylphosphaniumylacetyl)pyrazol-3-olate CAS Name: 2-methyl-4-(1-oxo-2-triphenylphosphiniumylethyl)-5-phenyl-3-pyrazololate IUPAC Name: 2-methyl-5-phenyl-4-(2-triphenylphosphaniumylacetyl)pyrazol-3-olate Traditional Name: 2-methyl-5-phenyl-4-(2-triphenylphosphiniumylacetyl)pyrazol-3-olate Formula: C30H25N2O2P MolecularWeight: 476.505461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C30H25N2O2P/c1-32-30(34)28(29(31-32)23-14-6-2-7-15-23)27(33)22-35(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,22H2,1H3