[3-(bromomethyl)-2-methyl-phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [3-(bromomethyl)-2-methyl-phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [3-(bromomethyl)-2-methyl-phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [3-(bromomethyl)-2-methylphenyl]methyl-triphenylphosphonium bromide IUPAC Name: [3-(bromomethyl)-2-methylphenyl]methyl-triphenylphosphanium bromide Traditional Name: [3-(bromomethyl)-2-methyl-benzyl]-triphenyl-phosphonium bromide Formula: C27H25Br2P MolecularWeight: 540.269161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CBr)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=C(C=CC=C1CBr)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H25BrP.BrH/c1-22-23(20-28)12-11-13-24(22)21-29(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27;/h2-19H,20-21H2,1H3;1H/q+1;/p-1