tris(2-diphenylphosphanylethyl)-(3-methylbutyl)phosphanium bromide

Systemtic Name: tris(2-diphenylphosphanylethyl)-(3-methylbutyl)phosphanium bromide Openeye Name: tris(2-diphenylphosphanylethyl)-isopentyl-phosphonium bromide CAS Name: tris(2-diphenylphosphinoethyl)-(3-methylbutyl)phosphonium bromide IUPAC Name: tris(2-diphenylphosphanylethyl)-(3-methylbutyl)phosphanium bromide Traditional Name: tris(2-diphenylphosphinoethyl)-isoamyl-phosphonium bromide Formula: C47H53BrP4 MolecularWeight: 821.722764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H53P4.BrH/c1-41(2)33-37-51(38-34-48(42-21-9-3-10-22-42)43-23-11-4-12-24-43,39-35-49(44-25-13-5-14-26-44)45-27-15-6-16-28-45)40-36-50(46-29-17-7-18-30-46)47-31-19-8-20-32-47;/h3-32,41H,33-40H2,1-2H3;1H/q+1;/p-1