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

Systemtic Name: [3-ethoxycarbonyl-4-(4-nitrophenyl)furan-2-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [3-ethoxycarbonyl-4-(4-nitrophenyl)-2-furyl]methyl-triphenyl-phosphonium bromide CAS Name: [3-ethoxycarbonyl-4-(4-nitrophenyl)-2-furanyl]methyl-triphenylphosphonium bromide IUPAC Name: [3-ethoxycarbonyl-4-(4-nitrophenyl)furan-2-yl]methyl-triphenylphosphanium bromide Traditional Name: [3-carbethoxy-4-(4-nitrophenyl)-2-furyl]methyl-triphenyl-phosphonium bromide Formula: C32H27BrNO5P MolecularWeight: 616.438241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H27NO5P.BrH/c1-2-37-32(34)31-29(24-18-20-25(21-19-24)33(35)36)22-38-30(31)23-39(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;/h3-22H,2,23H2,1H3;1H/q+1;/p-1