(4-methylsulfonyl-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-methylsulfonyl-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-methylsulfonyl-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphonium bromide CAS Name: (4-methylsulfonyl-1,3-benzodioxol-5-yl)methyl-triphenylphosphonium bromide IUPAC Name: (4-methylsulfonyl-1,3-benzodioxol-5-yl)methyl-triphenylphosphanium bromide Traditional Name: (4-mesyl-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphonium bromide Formula: C27H24BrO4PS MolecularWeight: 555.419821

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC2=C1OCO2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC2=C1OCO2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C27H24O4PS.BrH/c1-33(28,29)27-21(17-18-25-26(27)31-20-30-25)19-32(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-18H,19-20H2,1H3;1H/q+1;/p-1