[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide

Systemtic Name: [2-(4-cyanophenyl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide Openeye Name: [2-(4-cyanophenyl)-2-oxo-ethyl]-triphenyl-phosphonium bromide CAS Name: [2-(4-cyanophenyl)-2-oxoethyl]-triphenylphosphonium bromide IUPAC Name: [2-(4-cyanophenyl)-2-oxoethyl]-triphenylphosphanium bromide Traditional Name: [2-(4-cyanophenyl)-2-keto-ethyl]-triphenyl-phosphonium bromide Formula: C27H21BrNOP MolecularWeight: 486.339501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21NOP.BrH/c28-20-22-16-18-23(19-17-22)27(29)21-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;/h1-19H,21H2;1H/q+1;/p-1