3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl-triphenyl-phosphanium bromide

Systemtic Name: 3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl-triphenyl-phosphanium bromide Openeye Name: 3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl-triphenyl-phosphonium bromide CAS Name: 3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl-triphenylphosphonium bromide IUPAC Name: 3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl-triphenylphosphanium bromide Traditional Name: 3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl-triphenyl-phosphonium bromide Formula: C32H34BrO3P MolecularWeight: 577.488321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C32H33O3P.BrH/c1-3-14-30-31(22-21-29(25(2)33)32(30)34)35-23-13-24-36(26-15-7-4-8-16-26,27-17-9-5-10-18-27)28-19-11-6-12-20-28;/h4-12,15-22H,3,13-14,23-24H2,1-2H3;1H