(3,5-dicyanophenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (3,5-dicyanophenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (3,5-dicyanophenyl)methyl-triphenyl-phosphonium bromide CAS Name: (3,5-dicyanophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (3,5-dicyanophenyl)methyl-triphenylphosphanium bromide Traditional Name: (3,5-dicyanobenzyl)-triphenyl-phosphonium bromide Formula: C27H20BrN2P MolecularWeight: 483.338861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC(=CC(=C2)C#N)C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC(=CC(=C2)C#N)C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H20N2P.BrH/c28-19-22-16-23(20-29)18-24(17-22)21-30(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27;/h1-18H,21H2;1H/q+1;/p-1