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

Systemtic Name: [3-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylphenyl]-diphenyl-propyl-phosphanium bromide Openeye Name: [3-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylphenyl]-diphenyl-propyl-phosphonium bromide CAS Name: [3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]phenyl]-diphenyl-propylphosphonium bromide IUPAC Name: [3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylphenyl]-diphenyl-propylphosphanium bromide Traditional Name: [3-[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]phenyl]-diphenyl-propyl-phosphonium bromide Formula: C32H34BrO2PS MolecularWeight: 593.553921

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)SC2=CC=CC(=C2)[P+](CCC)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)SC2=CC=CC(=C2)[P+](CCC)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C32H33O2PS.BrH/c1-4-13-30-31(21-20-29(24(3)33)32(30)34)36-28-19-12-18-27(23-28)35(22-5-2,25-14-8-6-9-15-25)26-16-10-7-11-17-26;/h6-12,14-21,23H,4-5,13,22H2,1-3H3;1H