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

Systemtic Name: (1-ethoxy-1-oxidanylidene-pentan-2-yl)-triphenyl-phosphanium bromide Openeye Name: 1-ethoxycarbonylbutyl(triphenyl)phosphonium bromide CAS Name: (1-ethoxy-1-oxopentan-2-yl)-triphenylphosphonium bromide IUPAC Name: (1-ethoxy-1-oxopentan-2-yl)-triphenylphosphanium bromide Traditional Name: 1-carbethoxybutyl(triphenyl)phosphonium bromide Formula: C25H28BrO2P MolecularWeight: 471.366381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O2P.BrH/c1-3-14-24(25(26)27-4-2)28(21-15-8-5-9-16-21,22-17-10-6-11-18-22)23-19-12-7-13-20-23;/h5-13,15-20,24H,3-4,14H2,1-2H3;1H/q+1;/p-1