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

Systemtic Name: (1-ethoxy-1-oxidanylidene-heptan-2-yl)-triphenyl-phosphanium bromide Openeye Name: 1-ethoxycarbonylhexyl(triphenyl)phosphonium bromide CAS Name: (1-ethoxy-1-oxoheptan-2-yl)-triphenylphosphonium bromide IUPAC Name: (1-ethoxy-1-oxoheptan-2-yl)-triphenylphosphanium bromide Traditional Name: 1-carbethoxyhexyl(triphenyl)phosphonium bromide Formula: C27H32BrO2P MolecularWeight: 499.419541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O2P.BrH/c1-3-5-9-22-26(27(28)29-4-2)30(23-16-10-6-11-17-23,24-18-12-7-13-19-24)25-20-14-8-15-21-25;/h6-8,10-21,26H,3-5,9,22H2,1-2H3;1H/q+1;/p-1