[(2Z,4E,6E)-2,6-dimethyl-8-oxidanyl-8-oxidanylidene-octa-2,4,6-trienyl]-triphenyl-phosphanium bromide

Systemtic Name: [(2Z,4E,6E)-2,6-dimethyl-8-oxidanyl-8-oxidanylidene-octa-2,4,6-trienyl]-triphenyl-phosphanium bromide Openeye Name: [(2Z,4E,6E)-8-hydroxy-2,6-dimethyl-8-oxo-octa-2,4,6-trienyl]-triphenyl-phosphonium bromide CAS Name: [(2Z,4E,6E)-8-hydroxy-2,6-dimethyl-8-oxoocta-2,4,6-trienyl]-triphenylphosphonium bromide IUPAC Name: [(2Z,4E,6E)-8-hydroxy-2,6-dimethyl-8-oxoocta-2,4,6-trienyl]-triphenylphosphanium bromide Traditional Name: [(2Z,4E,6E)-8-hydroxy-8-keto-2,6-dimethyl-octa-2,4,6-trienyl]-triphenyl-phosphonium bromide Formula: C28H28BrO2P MolecularWeight: 507.398481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27O2P.BrH/c1-23(21-28(29)30)13-12-14-24(2)22-31(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27;/h3-21H,22H2,1-2H3;1H/b13-12+,23-21+,24-14-;