[(E)-6-ethoxy-5-methyl-6-oxidanylidene-hex-4-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-6-ethoxy-5-methyl-6-oxidanylidene-hex-4-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-6-ethoxy-5-methyl-6-oxo-hex-4-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-6-ethoxy-5-methyl-6-oxohex-4-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-6-ethoxy-5-methyl-6-oxohex-4-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-6-ethoxy-6-keto-5-methyl-hex-4-enyl]-triphenyl-phosphonium bromide Formula: C27H30BrO2P MolecularWeight: 497.403661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O2P.BrH/c1-3-29-27(28)23(2)15-13-14-22-30(24-16-7-4-8-17-24,25-18-9-5-10-19-25)26-20-11-6-12-21-26;/h4-12,15-21H,3,13-14,22H2,1-2H3;1H/q+1;/p-1/b23-15+;