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

Systemtic Name: [4-(4-chlorophenyl)-3-ethoxycarbonyl-furan-2-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-(4-chlorophenyl)-3-ethoxycarbonyl-2-furyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-(4-chlorophenyl)-3-ethoxycarbonyl-2-furanyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-(4-chlorophenyl)-3-ethoxycarbonylfuran-2-yl]methyl-triphenylphosphanium bromide Traditional Name: [3-carbethoxy-4-(4-chlorophenyl)-2-furyl]methyl-triphenyl-phosphonium bromide Formula: C32H27BrClO3P MolecularWeight: 605.885741

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H27ClO3P.BrH/c1-2-35-32(34)31-29(24-18-20-25(33)21-19-24)22-36-30(31)23-37(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