[(E,2E)-4-oxidanylidene-7-phenyl-2-(phenylmethylidene)-6-(triphenylphosphaniumylmethyl)hept-6-enyl]-triphenyl-phosphanium dibromide

Systemtic Name: [(E,2E)-4-oxidanylidene-7-phenyl-2-(phenylmethylidene)-6-(triphenylphosphaniumylmethyl)hept-6-enyl]-triphenyl-phosphanium dibromide Openeye Name: [(E,2E)-2-benzylidene-4-oxo-7-phenyl-6-(triphenylphosphaniumylmethyl)hept-6-enyl]-triphenyl-phosphonium dibromide CAS Name: [(E,2E)-4-oxo-7-phenyl-2-(phenylmethylene)-6-(triphenylphosphiniumylmethyl)hept-6-enyl]-triphenylphosphonium dibromide IUPAC Name: [(E,2E)-2-benzylidene-4-oxo-7-phenyl-6-(triphenylphosphaniumylmethyl)hept-6-enyl]-triphenylphosphanium dibromide Traditional Name: [(E,2E)-2-benzal-4-keto-7-phenyl-6-(triphenylphosphiniumylmethyl)hept-6-enyl]-triphenyl-phosphonium dibromide Formula: C57H50Br2OP2 MolecularWeight: 972.761822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(CC(=O)CC(=CC2=CC=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C(/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)\CC(=O)C/C(=C\C5=CC=CC=C5)/C[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-].[Br-]

InChI

InChI=1S/C57H50OP2.2BrH/c58-51(43-49(41-47-25-9-1-10-26-47)45-59(52-29-13-3-14-30-52,53-31-15-4-16-32-53)54-33-17-5-18-34-54)44-50(42-48-27-11-2-12-28-48)46-60(55-35-19-6-20-36-55,56-37-21-7-22-38-56)57-39-23-8-24-40-57;;/h1-42H,43-46H2;2*1H/q+2;;/p-2/b49-41+,50-42+;;