[(2E,4E,6E)-2,7-dimethyl-8-oxidanylidene-octa-2,4,6-trienyl]-triphenyl-phosphanium bromide

Systemtic Name: [(2E,4E,6E)-2,7-dimethyl-8-oxidanylidene-octa-2,4,6-trienyl]-triphenyl-phosphanium bromide Openeye Name: [(2E,4E,6E)-2,7-dimethyl-8-oxo-octa-2,4,6-trienyl]-triphenyl-phosphonium bromide CAS Name: [(2E,4E,6E)-2,7-dimethyl-8-oxoocta-2,4,6-trienyl]-triphenylphosphonium bromide IUPAC Name: [(2E,4E,6E)-2,7-dimethyl-8-oxoocta-2,4,6-trienyl]-triphenylphosphanium bromide Traditional Name: [(2E,4E,6E)-8-keto-2,7-dimethyl-octa-2,4,6-trienyl]-triphenyl-phosphonium bromide Formula: C28H28BrOP MolecularWeight: 491.399081

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28OP.BrH/c1-24(22-29)14-12-13-15-25(2)23-30(26-16-6-3-7-17-26,27-18-8-4-9-19-27)28-20-10-5-11-21-28;/h3-22H,23H2,1-2H3;1H/q+1;/p-1/b13-12+,24-14+,25-15+;