[3,7-ditert-butyl-5-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl-triphenyl-phosphanium dibromide

Systemtic Name: [3,7-ditert-butyl-5-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl-triphenyl-phosphanium dibromide Openeye Name: [3,7-ditert-butyl-5-(triphenylphosphaniumylmethyl)-1-naphthyl]methyl-triphenyl-phosphonium dibromide CAS Name: [3,7-ditert-butyl-5-(triphenylphosphiniumylmethyl)-1-naphthalenyl]methyl-triphenylphosphonium dibromide IUPAC Name: [3,7-ditert-butyl-5-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl-triphenylphosphanium dibromide Traditional Name: [3,7-ditert-butyl-5-(triphenylphosphiniumylmethyl)-1-naphthyl]methyl-triphenyl-phosphonium dibromide Formula: C56H56Br2P2 MolecularWeight: 950.799362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=C(C=C(C2=C1)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C)C[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-].[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=C(C=C(C2=C1)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C)C[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-].[Br-]

InChI

InChI=1S/C56H56P2.2BrH/c1-55(2,3)45-37-43(41-57(47-25-13-7-14-26-47,48-27-15-8-16-28-48)49-29-17-9-18-30-49)54-40-46(56(4,5)6)38-44(53(54)39-45)42-58(50-31-19-10-20-32-50,51-33-21-11-22-34-51)52-35-23-12-24-36-52;;/h7-40H,41-42H2,1-6H3;2*1H/q+2;;/p-2