5-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-4-(2-triphenylphosphaniumylethanoyl)pyrazol-3-olate

Systemtic Name: 5-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-4-(2-triphenylphosphaniumylethanoyl)pyrazol-3-olate Openeye Name: 5-(2-methoxy-2-oxo-ethyl)-2-methyl-4-(2-triphenylphosphaniumylacetyl)pyrazol-3-olate CAS Name: 5-(2-methoxy-2-oxoethyl)-2-methyl-4-(1-oxo-2-triphenylphosphiniumylethyl)-3-pyrazololate IUPAC Name: 5-(2-methoxy-2-oxoethyl)-2-methyl-4-(2-triphenylphosphaniumylacetyl)pyrazol-3-olate Traditional Name: 5-(2-keto-2-methoxy-ethyl)-2-methyl-4-(2-triphenylphosphiniumylacetyl)pyrazol-3-olate Formula: C27H25N2O4P MolecularWeight: 472.472161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N2O4P/c1-29-27(32)26(23(28-29)18-25(31)33-2)24(30)19-34(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18-19H2,1-2H3