(2,6-dicyanophenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2,6-dicyanophenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2,6-dicyanophenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2,6-dicyanophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2,6-dicyanophenyl)methyl-triphenylphosphanium bromide Traditional Name: (2,6-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=C(C=CC=C2C#N)C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=C(C=CC=C2C#N)C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

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