(4-methylsulfonylphenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-methylsulfonylphenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-methylsulfonylphenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-methylsulfonylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-methylsulfonylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-mesylbenzyl)-triphenyl-phosphonium bromide Formula: C26H24BrO2PS MolecularWeight: 511.410321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24O2PS.BrH/c1-30(27,28)26-19-17-22(18-20-26)21-29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-20H,21H2,1H3;1H/q+1;/p-1