[(1E,3E)-6-methylhepta-1,3,5-trienyl]-triphenyl-phosphanium bromide

Systemtic Name: [(1E,3E)-6-methylhepta-1,3,5-trienyl]-triphenyl-phosphanium bromide Openeye Name: [(1E,3E)-6-methylhepta-1,3,5-trienyl]-triphenyl-phosphonium bromide CAS Name: [(1E,3E)-6-methylhepta-1,3,5-trienyl]-triphenylphosphonium bromide IUPAC Name: [(1E,3E)-6-methylhepta-1,3,5-trienyl]-triphenylphosphanium bromide Traditional Name: [(1E,3E)-6-methylhepta-1,3,5-trienyl]-triphenyl-phosphonium bromide Formula: C26H26BrP MolecularWeight: 449.362401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26P.BrH/c1-23(2)15-7-6-14-22-27(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26;/h3-22H,1-2H3;1H/q+1;/p-1/b7-6+,22-14+;