[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-2-oxidanylidene-4-phenyl-but-3-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-2-oxo-4-phenyl-but-3-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-2-oxo-4-phenylbut-3-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-2-oxo-4-phenylbut-3-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-2-keto-4-phenyl-but-3-enyl]-triphenyl-phosphonium bromide Formula: C28H24BrOP MolecularWeight: 487.367321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24OP.BrH/c29-25(22-21-24-13-5-1-6-14-24)23-30(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28;/h1-22H,23H2;1H/q+1;/p-1/b22-21+;