(5,5-diphenyl-1,4-dihydropyrazol-3-yl)-triphenyl-phosphanium bromide

Systemtic Name: (5,5-diphenyl-1,4-dihydropyrazol-3-yl)-triphenyl-phosphanium bromide Openeye Name: (5,5-diphenyl-1,4-dihydropyrazol-3-yl)-triphenyl-phosphonium bromide CAS Name: (5,5-diphenyl-1,4-dihydropyrazol-3-yl)-triphenylphosphonium bromide IUPAC Name: (5,5-diphenyl-1,4-dihydropyrazol-3-yl)-triphenylphosphanium bromide Traditional Name: (5,5-diphenyl-2-pyrazolin-3-yl)-triphenyl-phosphonium bromide Formula: C33H28BrN2P MolecularWeight: 563.466581

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NNC1(C2=CC=CC=C2)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

C1C(=NNC1(C2=CC=CC=C2)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C33H28N2P.BrH/c1-6-16-27(17-7-1)33(28-18-8-2-9-19-28)26-32(34-35-33)36(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;/h1-25,35H,26H2;1H/q+1;/p-1