[(E)-oxepan-2-ylidenemethyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-oxepan-2-ylidenemethyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-oxepan-2-ylidenemethyl]-triphenyl-phosphonium bromide CAS Name: [(E)-2-oxepanylidenemethyl]-triphenylphosphonium bromide IUPAC Name: [(E)-oxepan-2-ylidenemethyl]-triphenylphosphanium bromide Traditional Name: [(E)-oxepan-2-ylidenemethyl]-triphenyl-phosphonium bromide Formula: C25H26BrOP MolecularWeight: 453.351101

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCC1.[Br-]

Isomeric SMILES

C1CC/C(=C\[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/OCC1.[Br-]

InChI

InChI=1S/C25H26OP.BrH/c1-6-14-23(15-7-1)27(24-16-8-2-9-17-24,25-18-10-3-11-19-25)21-22-13-5-4-12-20-26-22;/h1-3,6-11,14-19,21H,4-5,12-13,20H2;1H/q+1;/p-1/b22-21+;