[3-(4-fluorophenyl)-4-methoxycarbonyl-phenyl]-diphenyl-(phenylmethyl)phosphanium bromide

Systemtic Name: [3-(4-fluorophenyl)-4-methoxycarbonyl-phenyl]-diphenyl-(phenylmethyl)phosphanium bromide Openeye Name: benzyl-[3-(4-fluorophenyl)-4-methoxycarbonyl-phenyl]-diphenyl-phosphonium bromide CAS Name: [3-(4-fluorophenyl)-4-methoxycarbonylphenyl]-diphenyl-(phenylmethyl)phosphonium bromide IUPAC Name: benzyl-[3-(4-fluorophenyl)-4-methoxycarbonylphenyl]-diphenylphosphanium bromide Traditional Name: benzyl-[4-carbomethoxy-3-(4-fluorophenyl)phenyl]-diphenyl-phosphonium bromide Formula: C33H27BrFO2P MolecularWeight: 585.442444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F.[Br-]

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F.[Br-]

InChI

InChI=1S/C33H27FO2P.BrH/c1-36-33(35)31-22-21-30(23-32(31)26-17-19-27(34)20-18-26)37(28-13-7-3-8-14-28,29-15-9-4-10-16-29)24-25-11-5-2-6-12-25;/h2-23H,24H2,1H3;1H/q+1;/p-1