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

Systemtic Name: 3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butyl-triphenyl-phosphanium bromide Openeye Name: 3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl-triphenyl-phosphonium bromide CAS Name: 3-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl-triphenylphosphonium bromide IUPAC Name: 3-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl-triphenylphosphanium bromide Traditional Name: 3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl-triphenyl-phosphonium bromide Formula: C33H36BrO3P MolecularWeight: 591.514901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H35O3P.BrH/c1-4-14-31-32(22-21-30(26(3)34)33(31)35)36-25(2)23-24-37(27-15-8-5-9-16-27,28-17-10-6-11-18-28)29-19-12-7-13-20-29;/h5-13,15-22,25H,4,14,23-24H2,1-3H3;1H