(12-oxidanyl-12-oxidanylidene-dodecyl)-triphenyl-phosphanium bromide

Systemtic Name: (12-oxidanyl-12-oxidanylidene-dodecyl)-triphenyl-phosphanium bromide Openeye Name: (12-hydroxy-12-oxo-dodecyl)-triphenyl-phosphonium bromide CAS Name: (12-hydroxy-12-oxododecyl)-triphenylphosphonium bromide IUPAC Name: (12-hydroxy-12-oxododecyl)-triphenylphosphanium bromide Traditional Name: (12-hydroxy-12-keto-dodecyl)-triphenyl-phosphonium bromide Formula: C30H38BrO2P MolecularWeight: 541.499281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37O2P.BrH/c31-30(32)25-17-6-4-2-1-3-5-7-18-26-33(27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29;/h8-16,19-24H,1-7,17-18,25-26H2;1H