[(E)-3-(3,3-dimethyl-2H-1-benzofuran-5-yl)but-2-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-3-(3,3-dimethyl-2H-1-benzofuran-5-yl)but-2-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-3-(3,3-dimethyl-2H-benzofuran-5-yl)but-2-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-3-(3,3-dimethyl-2H-benzofuran-5-yl)but-2-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-3-(3,3-dimethyl-2H-1-benzofuran-5-yl)but-2-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-3-(3,3-dimethylcoumaran-5-yl)but-2-enyl]-triphenyl-phosphonium bromide Formula: C32H32BrOP MolecularWeight: 543.473641

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCC5(C)C.[Br-]

Isomeric SMILES

C/C(=C\C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C4=CC5=C(C=C4)OCC5(C)C.[Br-]

InChI

InChI=1S/C32H32OP.BrH/c1-25(26-19-20-31-30(23-26)32(2,3)24-33-31)21-22-34(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;/h4-21,23H,22,24H2,1-3H3;1H/q+1;/p-1/b25-21+;