[3-(3-ethanoyl-4-oxidanyl-5-propyl-phenoxy)phenyl]-diphenyl-propyl-phosphanium bromide

Systemtic Name: [3-(3-ethanoyl-4-oxidanyl-5-propyl-phenoxy)phenyl]-diphenyl-propyl-phosphanium bromide Openeye Name: [3-(3-acetyl-4-hydroxy-5-propyl-phenoxy)phenyl]-diphenyl-propyl-phosphonium bromide CAS Name: [3-(3-acetyl-4-hydroxy-5-propylphenoxy)phenyl]-diphenyl-propylphosphonium bromide IUPAC Name: [3-(3-acetyl-4-hydroxy-5-propylphenoxy)phenyl]-diphenyl-propylphosphanium bromide Traditional Name: [3-(3-acetyl-4-hydroxy-5-propyl-phenoxy)phenyl]-diphenyl-propyl-phosphonium bromide Formula: C32H34BrO3P MolecularWeight: 577.488321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)OC2=CC(=CC=C2)[P+](CCC)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C)O.[Br-]

Isomeric SMILES

CCCC1=C(C(=CC(=C1)OC2=CC(=CC=C2)[P+](CCC)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C)O.[Br-]

InChI

InChI=1S/C32H33O3P.BrH/c1-4-13-25-21-27(23-31(24(3)33)32(25)34)35-26-14-12-19-30(22-26)36(20-5-2,28-15-8-6-9-16-28)29-17-10-7-11-18-29;/h6-12,14-19,21-23H,4-5,13,20H2,1-3H3;1H