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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-triphenyl-phosphonium bromide Formula: C28H26BrO2P MolecularWeight: 505.382601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCO2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H26O2P.BrH/c1-22(23-17-18-27-28(21-23)30-20-19-29-27)31(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-18,21-22H,19-20H2,1H3;1H/q+1;/p-1