[(1E)-6-methyl-4-oxidanyl-hepta-1,5-dienyl]-triphenyl-phosphanium bromide

Systemtic Name: [(1E)-6-methyl-4-oxidanyl-hepta-1,5-dienyl]-triphenyl-phosphanium bromide Openeye Name: [(1E)-4-hydroxy-6-methyl-hepta-1,5-dienyl]-triphenyl-phosphonium bromide CAS Name: [(1E)-4-hydroxy-6-methylhepta-1,5-dienyl]-triphenylphosphonium bromide IUPAC Name: [(1E)-4-hydroxy-6-methylhepta-1,5-dienyl]-triphenylphosphanium bromide Traditional Name: [(1E)-4-hydroxy-6-methyl-hepta-1,5-dienyl]-triphenyl-phosphonium bromide Formula: C26H28BrOP MolecularWeight: 467.377681

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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)O)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C26H28OP.BrH/c1-22(2)21-23(27)13-12-20-28(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26;/h3-12,14-21,23,27H,13H2,1-2H3;1H/q+1;/p-1/b20-12+;