(1-ethoxy-1-oxidanylidene-hexan-2-yl)-triphenyl-phosphanium bromide

Systemtic Name: (1-ethoxy-1-oxidanylidene-hexan-2-yl)-triphenyl-phosphanium bromide Openeye Name: 1-ethoxycarbonylpentyl(triphenyl)phosphonium bromide CAS Name: (1-ethoxy-1-oxohexan-2-yl)-triphenylphosphonium bromide IUPAC Name: (1-ethoxy-1-oxohexan-2-yl)-triphenylphosphanium bromide Traditional Name: 1-carbethoxypentyl(triphenyl)phosphonium bromide Formula: C26H30BrO2P MolecularWeight: 485.392961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O2P.BrH/c1-3-5-21-25(26(27)28-4-2)29(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24;/h6-20,25H,3-5,21H2,1-2H3;1H/q+1;/p-1