[(3-carboxyphenyl)-cyano-methyl]-triphenyl-phosphanium bromide

Systemtic Name: [(3-carboxyphenyl)-cyano-methyl]-triphenyl-phosphanium bromide Openeye Name: [(3-carboxyphenyl)-cyano-methyl]-triphenyl-phosphonium bromide CAS Name: [(3-carboxyphenyl)-cyanomethyl]-triphenylphosphonium bromide IUPAC Name: [(3-carboxyphenyl)-cyanomethyl]-triphenylphosphanium bromide Traditional Name: [(3-carboxyphenyl)-cyano-methyl]-triphenyl-phosphonium bromide Formula: C27H21BrNO2P MolecularWeight: 502.338901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20NO2P.BrH/c28-20-26(21-11-10-12-22(19-21)27(29)30)31(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25;/h1-19,26H;1H