13-(phenylcarbonyl)pentacosan-13-ylsulfanium bromide

Systemtic Name: 13-(phenylcarbonyl)pentacosan-13-ylsulfanium bromide Openeye Name: (1-benzoyl-1-dodecyl-tridecyl)sulfonium bromide CAS Name: 13-benzoylpentacosan-13-ylsulfonium bromide IUPAC Name: 13-benzoylpentacosan-13-ylsulfanium bromide Traditional Name: (1-benzoyl-1-lauryl-tridecyl)sulfonium bromide Formula: C32H57BrOS MolecularWeight: 569.76338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C(=O)C1=CC=CC=C1)[SH2+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C(=O)C1=CC=CC=C1)[SH2+].[Br-]

InChI

InChI=1S/C32H56OS.BrH/c1-3-5-7-9-11-13-15-17-19-24-28-32(34,31(33)30-26-22-21-23-27-30)29-25-20-18-16-14-12-10-8-6-4-2;/h21-23,26-27,34H,3-20,24-25,28-29H2,1-2H3;1H