(3-ethoxycarbonyl-3-phenoxycarbonyl-5-triphenylphosphaniumyl-pentyl)-triphenyl-phosphanium dibromide

Systemtic Name: (3-ethoxycarbonyl-3-phenoxycarbonyl-5-triphenylphosphaniumyl-pentyl)-triphenyl-phosphanium dibromide Openeye Name: (3-ethoxycarbonyl-3-phenoxycarbonyl-5-triphenylphosphaniumyl-pentyl)-triphenyl-phosphonium dibromide CAS Name: [3-ethoxycarbonyl-3-[oxo(phenoxy)methyl]-5-triphenylphosphiniumylpentyl]-triphenylphosphonium dibromide IUPAC Name: (3-ethoxycarbonyl-3-phenoxycarbonyl-5-triphenylphosphaniumylpentyl)-triphenylphosphanium dibromide Traditional Name: (3-carbethoxy-3-carbophenoxy-5-triphenylphosphiniumyl-pentyl)-triphenyl-phosphonium dibromide Formula: C51H48Br2O4P2 MolecularWeight: 946.679942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(CC[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

CCOC(=O)C(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(CC[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC7=CC=CC=C7.[Br-].[Br-]

InChI

InChI=1S/C51H48O4P2.2BrH/c1-2-54-49(52)51(50(53)55-42-24-10-3-11-25-42,38-40-56(43-26-12-4-13-27-43,44-28-14-5-15-29-44)45-30-16-6-17-31-45)39-41-57(46-32-18-7-19-33-46,47-34-20-8-21-35-47)48-36-22-9-23-37-48;;/h3-37H,2,38-41H2,1H3;2*1H/q+2;;/p-2