[3-(4,4-dimethyl-5,5-diphenyl-3-triphenylphosphaniumyl-pyrazol-1-yl)-2,3-dimethyl-butan-2-yl]-triphenyl-phosphanium dibromide

Systemtic Name: [3-(4,4-dimethyl-5,5-diphenyl-3-triphenylphosphaniumyl-pyrazol-1-yl)-2,3-dimethyl-butan-2-yl]-triphenyl-phosphanium dibromide Openeye Name: [4,4-dimethyl-5,5-diphenyl-1-(1,1,2-trimethyl-2-triphenylphosphaniumyl-propyl)pyrazol-3-yl]-triphenyl-phosphonium dibromide CAS Name: [3-(4,4-dimethyl-5,5-diphenyl-3-triphenylphosphiniumyl-1-pyrazolyl)-2,3-dimethylbutan-2-yl]-triphenylphosphonium dibromide IUPAC Name: [3-(4,4-dimethyl-5,5-diphenyl-3-triphenylphosphaniumylpyrazol-1-yl)-2,3-dimethylbutan-2-yl]-triphenylphosphanium dibromide Traditional Name: [4,4-dimethyl-5,5-diphenyl-1-(1,1,2-trimethyl-2-triphenylphosphiniumyl-propyl)-2-pyrazolin-3-yl]-triphenyl-phosphonium dibromide Formula: C59H58Br2N2P2 MolecularWeight: 1016.860742

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NN(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C(C)(C)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[P+](C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C.[Br-].[Br-]

Isomeric SMILES

CC1(C(=NN(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C(C)(C)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[P+](C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C.[Br-].[Br-]

InChI

InChI=1S/C59H58N2P2.2BrH/c1-56(2)55(62(49-35-19-9-20-36-49,50-37-21-10-22-38-50)51-39-23-11-24-40-51)60-61(59(56,47-31-15-7-16-32-47)48-33-17-8-18-34-48)57(3,4)58(5,6)63(52-41-25-12-26-42-52,53-43-27-13-28-44-53)54-45-29-14-30-46-54;;/h7-46H,1-6H3;2*1H/q+2;;/p-2