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

Systemtic Name: 2,5-dimethyl-4-(2-triphenylphosphaniumylethanoyl)pyrazol-3-olate Openeye Name: 2,5-dimethyl-4-(2-triphenylphosphaniumylacetyl)pyrazol-3-olate CAS Name: 2,5-dimethyl-4-(1-oxo-2-triphenylphosphiniumylethyl)-3-pyrazololate IUPAC Name: 2,5-dimethyl-4-(2-triphenylphosphaniumylacetyl)pyrazol-3-olate Traditional Name: 2,5-dimethyl-4-(2-triphenylphosphiniumylacetyl)pyrazol-3-olate Formula: C25H23N2O2P MolecularWeight: 414.436081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C

InChI

InChI=1S/C25H23N2O2P/c1-19-24(25(29)27(2)26-19)23(28)18-30(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18H2,1-2H3