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

Systemtic Name: [1-(2-ethoxy-2-oxidanylidene-ethyl)-4,4-dimethyl-5,5-diphenyl-pyrazol-3-yl]-triphenyl-phosphanium bromide Openeye Name: [1-(2-ethoxy-2-oxo-ethyl)-4,4-dimethyl-5,5-diphenyl-pyrazol-3-yl]-triphenyl-phosphonium bromide CAS Name: [1-(2-ethoxy-2-oxoethyl)-4,4-dimethyl-5,5-diphenyl-3-pyrazolyl]-triphenylphosphonium bromide IUPAC Name: [1-(2-ethoxy-2-oxoethyl)-4,4-dimethyl-5,5-diphenylpyrazol-3-yl]-triphenylphosphanium bromide Traditional Name: [1-(2-ethoxy-2-keto-ethyl)-4,4-dimethyl-5,5-diphenyl-2-pyrazolin-3-yl]-triphenyl-phosphonium bromide Formula: C39H38BrN2O2P MolecularWeight: 677.608981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H38N2O2P.BrH/c1-4-43-36(42)30-41-39(31-20-10-5-11-21-31,32-22-12-6-13-23-32)38(2,3)37(40-41)44(33-24-14-7-15-25-33,34-26-16-8-17-27-34)35-28-18-9-19-29-35;/h5-29H,4,30H2,1-3H3;1H/q+1;/p-1