[3-ethoxycarbonyl-4-(4-methylphenyl)furan-2-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [3-ethoxycarbonyl-4-(4-methylphenyl)furan-2-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [3-ethoxycarbonyl-4-(p-tolyl)-2-furyl]methyl-triphenyl-phosphonium bromide CAS Name: [3-ethoxycarbonyl-4-(4-methylphenyl)-2-furanyl]methyl-triphenylphosphonium bromide IUPAC Name: [3-ethoxycarbonyl-4-(4-methylphenyl)furan-2-yl]methyl-triphenylphosphanium bromide Traditional Name: [3-carbethoxy-4-(p-tolyl)-2-furyl]methyl-triphenyl-phosphonium bromide Formula: C33H30BrO3P MolecularWeight: 585.467261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H30O3P.BrH/c1-3-35-33(34)32-30(26-21-19-25(2)20-22-26)23-36-31(32)24-37(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;/h4-23H,3,24H2,1-2H3;1H/q+1;/p-1