triphenyl-[1-(3,4,5-tris-decoxyphenyl)ethyl]phosphanium bromide

Systemtic Name: triphenyl-[1-(3,4,5-tris-decoxyphenyl)ethyl]phosphanium bromide Openeye Name: triphenyl-[1-(3,4,5-tris-decoxyphenyl)ethyl]phosphonium bromide CAS Name: triphenyl-[1-(3,4,5-tris-decoxyphenyl)ethyl]phosphonium bromide IUPAC Name: triphenyl-[1-(3,4,5-tris-decoxyphenyl)ethyl]phosphanium bromide Traditional Name: triphenyl-[1-(3,4,5-tris-decoxyphenyl)ethyl]phosphonium bromide Formula: C56H84BrO3P MolecularWeight: 916.142121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCC)OCCCCCCCCCC)C(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCC)OCCCCCCCCCC)C(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C56H84O3P.BrH/c1-5-8-11-14-17-20-23-35-44-57-54-47-50(49(4)60(51-38-29-26-30-39-51,52-40-31-27-32-41-52)53-42-33-28-34-43-53)48-55(58-45-36-24-21-18-15-12-9-6-2)56(54)59-46-37-25-22-19-16-13-10-7-3;/h26-34,38-43,47-49H,5-25,35-37,44-46H2,1-4H3;1H/q+1;/p-1