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

Systemtic Name: 3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)hexyl-triphenyl-phosphanium bromide Openeye Name: 3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hexyl-triphenyl-phosphonium bromide CAS Name: 3-(4-acetyl-3-hydroxy-2-propylphenoxy)hexyl-triphenylphosphonium bromide IUPAC Name: 3-(4-acetyl-3-hydroxy-2-propylphenoxy)hexyl-triphenylphosphanium bromide Traditional Name: 3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hexyl-triphenyl-phosphonium bromide Formula: C35H40BrO3P MolecularWeight: 619.568061

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H39O3P.BrH/c1-4-15-28(38-34-24-23-32(27(3)36)35(37)33(34)16-5-2)25-26-39(29-17-9-6-10-18-29,30-19-11-7-12-20-30)31-21-13-8-14-22-31;/h6-14,17-24,28H,4-5,15-16,25-26H2,1-3H3;1H