(3-bromanyl-4-methylsulfonyl-thiophen-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (3-bromanyl-4-methylsulfonyl-thiophen-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (3-bromo-4-methylsulfonyl-2-thienyl)methyl-triphenyl-phosphonium bromide CAS Name: (3-bromo-4-methylsulfonyl-2-thiophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (3-bromo-4-methylsulfonylthiophen-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (3-bromo-4-mesyl-2-thienyl)methyl-triphenyl-phosphonium bromide Formula: C24H21Br2O2PS2 MolecularWeight: 596.334101

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1Br)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1Br)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C24H21BrO2PS2.BrH/c1-30(26,27)23-18-29-22(24(23)25)17-28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18H,17H2,1H3;1H/q+1;/p-1