[5-methoxy-2-methyl-3-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenyl-phosphanium dibromide

Systemtic Name: [5-methoxy-2-methyl-3-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenyl-phosphanium dibromide Openeye Name: [5-methoxy-2-methyl-3-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenyl-phosphonium dibromide CAS Name: [5-methoxy-2-methyl-3-(triphenylphosphiniumylmethyl)phenyl]methyl-triphenylphosphonium dibromide IUPAC Name: [5-methoxy-2-methyl-3-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium dibromide Traditional Name: [5-methoxy-2-methyl-3-(triphenylphosphiniumylmethyl)benzyl]-triphenyl-phosphonium dibromide Formula: C46H42Br2OP2 MolecularWeight: 832.580602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

InChI

InChI=1S/C46H42OP2.2BrH/c1-37-38(35-48(41-21-9-3-10-22-41,42-23-11-4-12-24-42)43-25-13-5-14-26-43)33-40(47-2)34-39(37)36-49(44-27-15-6-16-28-44,45-29-17-7-18-30-45)46-31-19-8-20-32-46;;/h3-34H,35-36H2,1-2H3;2*1H/q+2;;/p-2