2-(3-methyl-5-triphenylphosphaniumyl-3,4-dihydropyrazol-2-yl)ethyl-triphenyl-phosphanium dibromide

Systemtic Name: 2-(3-methyl-5-triphenylphosphaniumyl-3,4-dihydropyrazol-2-yl)ethyl-triphenyl-phosphanium dibromide Openeye Name: 2-(3-methyl-5-triphenylphosphaniumyl-3,4-dihydropyrazol-2-yl)ethyl-triphenyl-phosphonium dibromide CAS Name: 2-(3-methyl-5-triphenylphosphiniumyl-3,4-dihydropyrazol-2-yl)ethyl-triphenylphosphonium dibromide IUPAC Name: 2-(3-methyl-5-triphenylphosphaniumyl-3,4-dihydropyrazol-2-yl)ethyl-triphenylphosphanium dibromide Traditional Name: [5-methyl-1-(2-triphenylphosphiniumylethyl)-2-pyrazolin-3-yl]-triphenyl-phosphonium dibromide Formula: C42H40Br2N2P2 MolecularWeight: 794.535922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NN1CC[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.[Br-].[Br-]

Isomeric SMILES

CC1CC(=NN1CC[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.[Br-].[Br-]

InChI

InChI=1S/C42H40N2P2.2BrH/c1-35-34-42(46(39-26-14-5-15-27-39,40-28-16-6-17-29-40)41-30-18-7-19-31-41)43-44(35)32-33-45(36-20-8-2-9-21-36,37-22-10-3-11-23-37)38-24-12-4-13-25-38;;/h2-31,35H,32-34H2,1H3;2*1H/q+2;;/p-2