[(2Z,4E,6E)-2,7-dimethyl-8-triphenylphosphaniumyl-octa-2,4,6-trienyl]-triphenyl-phosphanium dibromide

Systemtic Name: [(2Z,4E,6E)-2,7-dimethyl-8-triphenylphosphaniumyl-octa-2,4,6-trienyl]-triphenyl-phosphanium dibromide Openeye Name: [(2Z,4E,6E)-2,7-dimethyl-8-triphenylphosphaniumyl-octa-2,4,6-trienyl]-triphenyl-phosphonium dibromide CAS Name: [(2Z,4E,6E)-2,7-dimethyl-8-triphenylphosphiniumylocta-2,4,6-trienyl]-triphenylphosphonium dibromide IUPAC Name: [(2Z,4E,6E)-2,7-dimethyl-8-triphenylphosphaniumylocta-2,4,6-trienyl]-triphenylphosphanium dibromide Traditional Name: [(2Z,4E,6E)-2,7-dimethyl-8-triphenylphosphiniumyl-octa-2,4,6-trienyl]-triphenyl-phosphonium dibromide Formula: C46H44Br2P2 MolecularWeight: 818.597082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H44P2.2BrH/c1-39(37-47(41-25-9-3-10-26-41,42-27-11-4-12-28-42)43-29-13-5-14-30-43)23-21-22-24-40(2)38-48(44-31-15-6-16-32-44,45-33-17-7-18-34-45)46-35-19-8-20-36-46;;/h3-36H,37-38H2,1-2H3;2*1H/q+2;;/p-2/b22-21+,39-23-,40-24+;;