(3-cyanophenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (3-cyanophenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (3-cyanophenyl)methyl-triphenyl-phosphonium bromide CAS Name: (3-cyanophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (3-cyanophenyl)methyl-triphenylphosphanium bromide Traditional Name: (3-cyanobenzyl)-triphenyl-phosphonium bromide Formula: C26H21BrNP MolecularWeight: 458.329401

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H21NP.BrH/c27-20-22-11-10-12-23(19-22)21-28(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26;/h1-19H,21H2;1H/q+1;/p-1