(3-ethoxycarbonyl-4-phenyl-furan-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (3-ethoxycarbonyl-4-phenyl-furan-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (3-ethoxycarbonyl-4-phenyl-2-furyl)methyl-triphenyl-phosphonium bromide CAS Name: (3-ethoxycarbonyl-4-phenyl-2-furanyl)methyl-triphenylphosphonium bromide IUPAC Name: (3-ethoxycarbonyl-4-phenylfuran-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (3-carbethoxy-4-phenyl-2-furyl)methyl-triphenyl-phosphonium bromide Formula: C32H28BrO3P MolecularWeight: 571.440681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1C2=CC=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCOC(=O)C1=C(OC=C1C2=CC=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C32H28O3P.BrH/c1-2-34-32(33)31-29(25-15-7-3-8-16-25)23-35-30(31)24-36(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28;/h3-23H,2,24H2,1H3;1H/q+1;/p-1