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

Systemtic Name: triphenyl-[1-(3,4,5-tridodecoxyphenyl)ethyl]phosphanium bromide Openeye Name: triphenyl-[1-(3,4,5-tridodecoxyphenyl)ethyl]phosphonium bromide CAS Name: triphenyl-[1-(3,4,5-tridodecoxyphenyl)ethyl]phosphonium bromide IUPAC Name: triphenyl-[1-(3,4,5-tridodecoxyphenyl)ethyl]phosphanium bromide Traditional Name: triphenyl-[1-(3,4,5-trilauryloxyphenyl)ethyl]phosphonium bromide Formula: C62H96BrO3P MolecularWeight: 1000.301601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C62H96O3P.BrH/c1-5-8-11-14-17-20-23-26-29-41-50-63-60-53-56(55(4)66(57-44-35-32-36-45-57,58-46-37-33-38-47-58)59-48-39-34-40-49-59)54-61(64-51-42-30-27-24-21-18-15-12-9-6-2)62(60)65-52-43-31-28-25-22-19-16-13-10-7-3;/h32-40,44-49,53-55H,5-31,41-43,50-52H2,1-4H3;1H/q+1;/p-1