[2-[(4-chlorophenyl)carbonyloxymethyl]phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2-[(4-chlorophenyl)carbonyloxymethyl]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-[(4-chlorobenzoyl)oxymethyl]phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [2-[[(4-chlorophenyl)-oxomethoxy]methyl]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [2-[(4-chlorobenzoyl)oxymethyl]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [2-[(4-chlorobenzoyl)oxymethyl]benzyl]-triphenyl-phosphonium bromide Formula: C33H27BrClO2P MolecularWeight: 601.897041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)Cl)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)Cl)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C33H27ClO2P.BrH/c34-29-22-20-26(21-23-29)33(35)36-24-27-12-10-11-13-28(27)25-37(30-14-4-1-5-15-30,31-16-6-2-7-17-31)32-18-8-3-9-19-32;/h1-23H,24-25H2;1H/q+1;/p-1