1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(3,3-dimethyl-2H-benzofuran-5-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(3,3-dimethyl-2H-benzofuran-5-yl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(3,3-dimethylcoumaran-5-yl)ethyl-triphenyl-phosphonium bromide Formula: C30H30BrOP MolecularWeight: 517.436361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC2(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCC2(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H30OP.BrH/c1-23(24-19-20-29-28(21-24)30(2,3)22-31-29)32(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27;/h4-21,23H,22H2,1-3H3;1H/q+1;/p-1