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(5-cyano-1-benzofuran-3-yl)methyl-triphenyl-phosphanium bromide

(5-cyano-1-benzofuran-3-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name:(5-cyano-1-benzofuran-3-yl)methyl-triphenyl-phosphanium bromide
Openeye Name:(5-cyanobenzofuran-3-yl)methyl-triphenyl-phosphonium bromide
CAS Name:(5-cyano-3-benzofuranyl)methyl-triphenylphosphonium bromide
IUPAC Name:(5-cyano-1-benzofuran-3-yl)methyl-triphenylphosphanium bromide
Traditional Name:(5-cyanobenzofuran-3-yl)methyl-triphenyl-phosphonium bromide
Formula: C28H21BrNOP
MolecularWeight: 498.350201
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=COC3=C2C=C(C=C3)C#N)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]


Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=COC3=C2C=C(C=C3)C#N)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]


InChI

InChI=1S/C28H21NOP.BrH/c29-19-22-16-17-28-27(18-22)23(20-30-28)21-31(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;/h1-18,20H,21H2;1H/q+1;/p-1


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