1-bromanylpropyl(triphenyl)phosphanium ethanoate

Systemtic Name: 1-bromanylpropyl(triphenyl)phosphanium ethanoate Openeye Name: 1-bromopropyl(triphenyl)phosphonium acetate CAS Name: 1-bromopropyl(triphenyl)phosphonium acetate IUPAC Name: 1-bromopropyl(triphenyl)phosphanium acetate Traditional Name: 1-bromopropyl(triphenyl)phosphonium acetate Formula: C23H24BrO2P MolecularWeight: 443.313221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Br.CC(=O)[O-]

Isomeric SMILES

CCC([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Br.CC(=O)[O-]

InChI

InChI=1S/C21H21BrP.C2H4O2/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2(3)4/h3-17,21H,2H2,1H3;1H3,(H,3,4)/q+1;/p-1