triphenyl-[4-(phenylcarbonyloxy)butyl]phosphanium bromide

Systemtic Name: triphenyl-[4-(phenylcarbonyloxy)butyl]phosphanium bromide Openeye Name: 4-benzoyloxybutyl(triphenyl)phosphonium bromide CAS Name: 4-benzoyloxybutyl(triphenyl)phosphonium bromide IUPAC Name: 4-benzoyloxybutyl(triphenyl)phosphanium bromide Traditional Name: 4-benzoyloxybutyl(triphenyl)phosphonium bromide Formula: C29H28BrO2P MolecularWeight: 519.409181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H28O2P.BrH/c30-29(25-15-5-1-6-16-25)31-23-13-14-24-32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;/h1-12,15-22H,13-14,23-24H2;1H/q+1;/p-1