[(E)-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-but-2-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-but-2-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-4-tert-butoxy-2-ethoxy-4-oxo-but-2-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-4-tert-butoxy-2-ethoxy-4-keto-but-2-enyl]-triphenyl-phosphonium bromide Formula: C28H32BrO3P MolecularWeight: 527.429641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32O3P.BrH/c1-5-30-23(21-27(29)31-28(2,3)4)22-32(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26;/h6-21H,5,22H2,1-4H3;1H/q+1;/p-1/b23-21+;