(4,4-dimethyl-5,5-diphenyl-1H-pyrazol-3-yl)-triphenyl-phosphanium bromide

Systemtic Name: (4,4-dimethyl-5,5-diphenyl-1H-pyrazol-3-yl)-triphenyl-phosphanium bromide Openeye Name: (4,4-dimethyl-5,5-diphenyl-1H-pyrazol-3-yl)-triphenyl-phosphonium bromide CAS Name: (4,4-dimethyl-5,5-diphenyl-1H-pyrazol-3-yl)-triphenylphosphonium bromide IUPAC Name: (4,4-dimethyl-5,5-diphenyl-1H-pyrazol-3-yl)-triphenylphosphanium bromide Traditional Name: (4,4-dimethyl-5,5-diphenyl-2-pyrazolin-3-yl)-triphenyl-phosphonium bromide Formula: C35H32BrN2P MolecularWeight: 591.519741

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NNC1(C2=CC=CC=C2)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C.[Br-]

Isomeric SMILES

CC1(C(=NNC1(C2=CC=CC=C2)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C.[Br-]

InChI

InChI=1S/C35H32N2P.BrH/c1-34(2)33(36-37-35(34,28-18-8-3-9-19-28)29-20-10-4-11-21-29)38(30-22-12-5-13-23-30,31-24-14-6-15-25-31)32-26-16-7-17-27-32;/h3-27,37H,1-2H3;1H/q+1;/p-1