1-ethanoylsulfanylbutyl(triphenyl)phosphanium bromide

Systemtic Name: 1-ethanoylsulfanylbutyl(triphenyl)phosphanium bromide Openeye Name: 1-acetylsulfanylbutyl(triphenyl)phosphonium bromide CAS Name: 1-(acetylthio)butyl-triphenylphosphonium bromide IUPAC Name: 1-acetylsulfanylbutyl(triphenyl)phosphanium bromide Traditional Name: 1-(acetylthio)butyl-triphenyl-phosphonium bromide Formula: C24H26BrOPS MolecularWeight: 473.405401

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Descriptors Computed from Structure

Canonical SMILES:

CCCC([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C.[Br-]

Isomeric SMILES

CCCC([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C.[Br-]

InChI

InChI=1S/C24H26OPS.BrH/c1-3-13-24(27-20(2)25)26(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-19,24H,3,13H2,1-2H3;1H/q+1;/p-1