[3-(4-methoxycarbonylphenoxy)-4-(phenylcarbonyloxy)phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [3-(4-methoxycarbonylphenoxy)-4-(phenylcarbonyloxy)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-benzoyloxy-3-(4-methoxycarbonylphenoxy)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-benzoyloxy-3-(4-methoxycarbonylphenoxy)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-benzoyloxy-3-(4-methoxycarbonylphenoxy)phenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-benzoyloxy-3-(4-carbomethoxyphenoxy)benzyl]-triphenyl-phosphonium bromide Formula: C40H32BrO5P MolecularWeight: 703.556841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=C(C=CC(=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6.[Br-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=C(C=CC(=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C40H32O5P.BrH/c1-43-39(41)32-23-25-33(26-24-32)44-38-28-30(22-27-37(38)45-40(42)31-14-6-2-7-15-31)29-46(34-16-8-3-9-17-34,35-18-10-4-11-19-35)36-20-12-5-13-21-36;/h2-28H,29H2,1H3;1H/q+1;/p-1