1-benzofuran-5-carbonitrile; (2-methylphenyl)-diphenyl-phosphanium; bromide

Systemtic Name: 1-benzofuran-5-carbonitrile; (2-methylphenyl)-diphenyl-phosphanium; bromide Openeye Name: benzofuran-5-carbonitrile; o-tolyl(diphenyl)phosphonium; bromide CAS Name: 5-benzofurancarbonitrile; (2-methylphenyl)-diphenylphosphonium; bromide IUPAC Name: 1-benzofuran-5-carbonitrile; (2-methylphenyl)-diphenylphosphanium; bromide Traditional Name: benzofuran-5-carbonitrile; o-tolyl(diphenyl)phosphonium; bromide Formula: C28H23BrNOP MolecularWeight: 500.366081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C(C=CO2)C=C1C#N.[Br-]

Isomeric SMILES

CC1=CC=CC=C1[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C(C=CO2)C=C1C#N.[Br-]

InChI

InChI=1S/C19H17P.C9H5NO.BrH/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;10-6-7-1-2-9-8(5-7)3-4-11-9;/h2-15H,1H3;1-5H;1H