[1-(2-ethoxy-2-oxidanylidene-ethyl)-5,5-diphenyl-4H-pyrazol-3-yl]-triphenyl-phosphanium bromide

Systemtic Name: [1-(2-ethoxy-2-oxidanylidene-ethyl)-5,5-diphenyl-4H-pyrazol-3-yl]-triphenyl-phosphanium bromide Openeye Name: [1-(2-ethoxy-2-oxo-ethyl)-5,5-diphenyl-4H-pyrazol-3-yl]-triphenyl-phosphonium bromide CAS Name: [1-(2-ethoxy-2-oxoethyl)-5,5-diphenyl-4H-pyrazol-3-yl]-triphenylphosphonium bromide IUPAC Name: [1-(2-ethoxy-2-oxoethyl)-5,5-diphenyl-4H-pyrazol-3-yl]-triphenylphosphanium bromide Traditional Name: [1-(2-ethoxy-2-keto-ethyl)-5,5-diphenyl-2-pyrazolin-3-yl]-triphenyl-phosphonium bromide Formula: C37H34BrN2O2P MolecularWeight: 649.555821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(CC(=N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

CCOC(=O)CN1C(CC(=N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C37H34N2O2P.BrH/c1-2-41-36(40)29-39-37(30-18-8-3-9-19-30,31-20-10-4-11-21-31)28-35(38-39)42(32-22-12-5-13-23-32,33-24-14-6-15-25-33)34-26-16-7-17-27-34;/h3-27H,2,28-29H2,1H3;1H/q+1;/p-1