(6-methoxy-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphonium bromide CAS Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-triphenylphosphonium bromide IUPAC Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-triphenylphosphanium bromide Traditional Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-triphenyl-phosphonium bromide Formula: C27H24BrO3P MolecularWeight: 507.355421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OCO2.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OCO2.[Br-]

InChI

InChI=1S/C27H24O3P.BrH/c1-28-25-18-27-26(29-20-30-27)17-21(25)19-31(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-18H,19-20H2,1H3;1H/q+1;/p-1