5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentyl-triphenyl-phosphanium bromide

Systemtic Name: 5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentyl-triphenyl-phosphanium bromide Openeye Name: 5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentyl-triphenyl-phosphonium bromide CAS Name: 5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl-triphenylphosphonium bromide IUPAC Name: 5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl-triphenylphosphanium bromide Traditional Name: 5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentyl-triphenyl-phosphonium bromide Formula: C34H38BrO3P MolecularWeight: 605.541481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H37O3P.BrH/c1-3-16-32-33(24-23-31(27(2)35)34(32)36)37-25-14-7-15-26-38(28-17-8-4-9-18-28,29-19-10-5-11-20-29)30-21-12-6-13-22-30;/h4-6,8-13,17-24H,3,7,14-16,25-26H2,1-2H3;1H