(2-oxidanylidene-4-propan-2-yloxy-butyl)-triphenyl-phosphanium bromide

Systemtic Name: (2-oxidanylidene-4-propan-2-yloxy-butyl)-triphenyl-phosphanium bromide Openeye Name: (4-isopropoxy-2-oxo-butyl)-triphenyl-phosphonium bromide CAS Name: (2-oxo-4-propan-2-yloxybutyl)-triphenylphosphonium bromide IUPAC Name: (2-oxo-4-propan-2-yloxybutyl)-triphenylphosphanium bromide Traditional Name: (4-isopropoxy-2-keto-butyl)-triphenyl-phosphonium bromide Formula: C25H28BrO2P MolecularWeight: 471.366381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O2P.BrH/c1-21(2)27-19-18-22(26)20-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h3-17,21H,18-20H2,1-2H3;1H/q+1;/p-1