[2,3-dimethyl-3-(3,4,4-trimethyl-5-triphenylphosphaniumyl-3H-pyrazol-2-yl)butan-2-yl]-triphenyl-phosphanium dibromide

Systemtic Name: [2,3-dimethyl-3-(3,4,4-trimethyl-5-triphenylphosphaniumyl-3H-pyrazol-2-yl)butan-2-yl]-triphenyl-phosphanium dibromide Openeye Name: triphenyl-[3,4,4-trimethyl-2-(1,1,2-trimethyl-2-triphenylphosphaniumyl-propyl)-3H-pyrazol-5-yl]phosphonium dibromide CAS Name: [2,3-dimethyl-3-(3,4,4-trimethyl-5-triphenylphosphiniumyl-3H-pyrazol-2-yl)butan-2-yl]-triphenylphosphonium dibromide IUPAC Name: [2,3-dimethyl-3-(3,4,4-trimethyl-5-triphenylphosphaniumyl-3H-pyrazol-2-yl)butan-2-yl]-triphenylphosphanium dibromide Traditional Name: triphenyl-[4,4,5-trimethyl-1-(1,1,2-trimethyl-2-triphenylphosphiniumyl-propyl)-2-pyrazolin-3-yl]phosphonium dibromide Formula: C48H52Br2N2P2 MolecularWeight: 878.695402

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=NN1C(C)(C)C(C)(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)(C)C.[Br-].[Br-]

Isomeric SMILES

CC1C(C(=NN1C(C)(C)C(C)(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)(C)C.[Br-].[Br-]

InChI

InChI=1S/C48H52N2P2.2BrH/c1-38-46(2,3)45(51(39-26-14-8-15-27-39,40-28-16-9-17-29-40)41-30-18-10-19-31-41)49-50(38)47(4,5)48(6,7)52(42-32-20-11-21-33-42,43-34-22-12-23-35-43)44-36-24-13-25-37-44;;/h8-38H,1-7H3;2*1H/q+2;;/p-2