1,3-benzodioxol-4-ylmethyl(triphenyl)phosphanium bromide

Systemtic Name: 1,3-benzodioxol-4-ylmethyl(triphenyl)phosphanium bromide Openeye Name: 1,3-benzodioxol-4-ylmethyl(triphenyl)phosphonium bromide CAS Name: 1,3-benzodioxol-4-ylmethyl(triphenyl)phosphonium bromide IUPAC Name: 1,3-benzodioxol-4-ylmethyl(triphenyl)phosphanium bromide Traditional Name: 1,3-benzodioxol-4-ylmethyl(triphenyl)phosphonium bromide Formula: C26H22BrO2P MolecularWeight: 477.329441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1OC2=CC=CC(=C2O1)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H22O2P.BrH/c1-4-12-22(13-5-1)29(23-14-6-2-7-15-23,24-16-8-3-9-17-24)19-21-11-10-18-25-26(21)28-20-27-25;/h1-18H,19-20H2;1H/q+1;/p-1