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

Systemtic Name: 3-(3-ethanoyl-4-oxidanyl-5-propyl-phenoxy)propyl-triphenyl-phosphanium bromide Openeye Name: 3-(3-acetyl-4-hydroxy-5-propyl-phenoxy)propyl-triphenyl-phosphonium bromide CAS Name: 3-(3-acetyl-4-hydroxy-5-propylphenoxy)propyl-triphenylphosphonium bromide IUPAC Name: 3-(3-acetyl-4-hydroxy-5-propylphenoxy)propyl-triphenylphosphanium bromide Traditional Name: 3-(3-acetyl-4-hydroxy-5-propyl-phenoxy)propyl-triphenyl-phosphonium bromide Formula: C32H34BrO3P MolecularWeight: 577.488321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H33O3P.BrH/c1-3-14-26-23-27(24-31(25(2)33)32(26)34)35-21-13-22-36(28-15-7-4-8-16-28,29-17-9-5-10-18-29)30-19-11-6-12-20-30;/h4-12,15-20,23-24H,3,13-14,21-22H2,1-2H3;1H