3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl-triphenyl-phosphanium bromide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl-triphenyl-phosphanium bromide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl-triphenyl-phosphonium bromide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl-triphenylphosphonium bromide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl-triphenylphosphanium bromide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl-triphenyl-phosphonium bromide Formula: C29H28BrO2P MolecularWeight: 519.409181

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H28O2P.BrH/c1-4-12-25(13-5-1)32(26-14-6-2-7-15-26,27-16-8-3-9-17-27)22-10-11-24-18-19-28-29(23-24)31-21-20-30-28;/h1-9,12-19,23H,10-11,20-22H2;1H/q+1;/p-1