[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)phenyl]-pentyl-diphenyl-phosphanium bromide

Systemtic Name: [3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)phenyl]-pentyl-diphenyl-phosphanium bromide Openeye Name: [3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)phenyl]-pentyl-diphenyl-phosphonium bromide CAS Name: [3-(4-acetyl-3-hydroxy-2-propylphenoxy)phenyl]-pentyl-diphenylphosphonium bromide IUPAC Name: [3-(4-acetyl-3-hydroxy-2-propylphenoxy)phenyl]-pentyl-diphenylphosphanium bromide Traditional Name: [3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)phenyl]-amyl-diphenyl-phosphonium bromide Formula: C34H38BrO3P MolecularWeight: 605.541481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC(=C3)OC4=C(C(=C(C=C4)C(=O)C)O)CCC.[Br-]

Isomeric SMILES

CCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC(=C3)OC4=C(C(=C(C=C4)C(=O)C)O)CCC.[Br-]

InChI

InChI=1S/C34H37O3P.BrH/c1-4-6-13-24-38(28-17-9-7-10-18-28,29-19-11-8-12-20-29)30-21-14-16-27(25-30)37-33-23-22-31(26(3)35)34(36)32(33)15-5-2;/h7-12,14,16-23,25H,4-6,13,15,24H2,1-3H3;1H