(2-chloranyl-4-cyano-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-chloranyl-4-cyano-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-chloro-4-cyano-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-chloro-4-cyanophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-chloro-4-cyanophenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-chloro-4-cyano-benzyl)-triphenyl-phosphonium bromide Formula: C26H20BrClNP MolecularWeight: 492.774461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20ClNP.BrH/c27-26-18-21(19-28)16-17-22(26)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-18H,20H2;1H/q+1;/p-1